data_2kik_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 2kik _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 ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.52 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' B' ' 42' ' ' TRP . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . 0.407 ' CH2' ' HE3' ' B' ' 38' ' ' LYS . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.2 mt . . . . . 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.411 ' H ' HD11 ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.408 ' CZ ' HG23 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.408 HG23 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.508 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.466 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.417 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ASN . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 24' ' ' THR . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.47 ' H ' HD23 ' A' ' 21' ' ' LEU . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . 0.404 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . 0.456 HD22 HD11 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 26' ' ' ASN . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.8 mm . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.492 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.433 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.18 -25.46 0.48 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -51.7 -36.56 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.572 1.549 . . . . 0.0 114.678 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 -20.57 0.02 OUTLIER Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 120.205 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.78 -27.51 59.83 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.758 1.223 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.478 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.478 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.62 -36.13 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.92 -16.31 63.75 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 -8.47 87.39 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.68 1.133 . . . . 0.0 114.73 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.303 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.49 -23.43 1.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.672 1.189 . . . . 0.0 113.754 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -52.76 -42.57 65.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.164 0.986 . . . . 0.0 111.852 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.52 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.52 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.63 -4.31 0.04 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.36 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.16 -27.4 45.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 0.0 113.976 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.407 ' HE3' ' CH2' ' B' ' 42' ' ' TRP . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . 0.407 ' CH2' ' HE3' ' B' ' 38' ' ' LYS . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.2 mt -65.75 -28.23 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.09 -19.46 64.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.9 -1.125 . . . . 0.0 113.759 171.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.89 -2.49 84.06 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.906 1.241 . . . . 0.0 114.402 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.361 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -143.27 -22.52 0.61 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.705 1.202 . . . . 0.0 114.153 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -51.68 -34.28 37.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.049 1.74 . . . . 0.0 115.052 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.411 ' H ' HD11 ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.87 26.48 0.02 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.41 -30.0 59.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.175 0.99 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.424 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt -51.13 -39.22 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.05 -15.45 60.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.128 1.371 . . . . 0.0 113.393 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.35 -2.75 41.24 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.567 1.556 . . . . 0.0 114.3 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.51 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.27 -32.27 0.47 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.13 0.972 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -54.7 -36.33 64.56 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.817 1.247 . . . . 0.0 113.515 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.35 -5.83 61.01 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 120.583 -1.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.48 -28.01 58.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.812 1.245 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.62 -34.34 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.27 -16.22 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.809 1.243 . . . . 0.0 113.508 -172.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.89 6.26 43.62 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.566 1.555 . . . . 0.0 114.144 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.447 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -143.13 -22.99 0.62 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.594 1.157 . . . . 0.0 114.035 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -50.99 -38.13 49.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 112.792 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.49 -19.95 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 120.581 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -55.3 -30.23 59.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.86 1.264 . . . . 0.0 114.062 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.54 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.54 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.9 -38.41 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mp 40.23 36.42 0.33 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.769 2.027 . . . . 0.0 115.087 -168.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.79 -13.97 5.87 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.392 0.996 . . . . 0.0 115.531 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.37 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.3 -21.28 0.34 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -57.58 -43.28 84.45 Favored 'General case' 0 CA--C 1.502 -0.896 0 O-C-N 121.153 -0.967 . . . . 0.0 111.858 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 168.64 38.32 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 121.212 -1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.73 -26.53 61.94 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.492 1.117 . . . . 0.0 113.843 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.85 -37.3 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 41.04 47.92 2.78 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.845 1.658 . . . . 0.0 113.506 -170.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.42 -167.23 26.6 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.562 1.553 . . . . 0.0 114.098 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.675 -1.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -137.73 -23.15 1.07 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.89 1.276 . . . . 0.0 113.781 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -50.83 -34.02 26.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.979 1.712 . . . . 0.0 115.216 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.29 177.88 36.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.796 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.23 -31.05 61.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.835 1.254 . . . . 0.0 114.122 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm -67.36 -30.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.61 -10.26 54.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.788 1.235 . . . . 0.0 114.108 -170.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.55 161.34 24.8 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.134 0.874 . . . . 0.0 113.981 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 120.826 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.98 -30.22 0.53 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 113.929 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -55.97 -36.88 68.32 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.92 -22.43 0.1 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 120.629 -1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.07 -29.83 61.09 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.743 1.217 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm -66.53 -34.98 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.95 -15.76 62.08 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.927 1.291 . . . . 0.0 113.32 -175.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.15 2.47 56.56 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.498 1.523 . . . . 0.0 114.288 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 120.462 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.01 -18.98 2.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.705 1.202 . . . . 0.0 113.903 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -50.53 -39.47 49.03 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.408 1.083 . . . . 0.0 112.202 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.9 81.37 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 120.497 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.22 -30.02 61.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.789 1.236 . . . . 0.0 114.233 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.408 ' CZ ' HG23 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.408 HG23 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm -65.8 -34.97 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.14 -8.69 56.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.824 1.25 . . . . 0.0 113.639 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.82 8.1 23.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.889 1.709 . . . . 0.0 114.051 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.518 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -142.3 -25.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.68 -37.27 58.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.756 1.222 . . . . 0.0 112.329 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -167.96 23.45 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 120.843 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -24.98 58.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt -50.39 -34.73 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.69 -15.0 43.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.695 1.198 . . . . 0.0 114.148 -167.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.58 22.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.931 1.132 . . . . 0.0 115.931 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 120.262 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -129.35 -20.97 3.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.914 1.285 . . . . 0.0 113.664 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -53.3 -39.48 64.03 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.913 1.285 . . . . 0.0 113.423 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.27 21.77 0.03 OUTLIER Glycine 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.202 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.32 -25.16 47.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm -90.45 -20.02 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mp 41.85 35.29 0.51 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.398 1.879 . . . . 0.0 113.604 -165.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.03 23.57 47.04 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.676 1.132 . . . . 0.0 115.443 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.058 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -148.96 -31.63 0.24 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.265 1.026 . . . . 0.0 113.086 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.855 1.262 . . . . 0.0 114.363 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.4 -20.12 0.02 OUTLIER Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 120.469 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -26.13 63.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.456 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.57 -41.81 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.06 48.68 4.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.018 1.727 . . . . 0.0 114.422 -172.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.29 152.13 21.93 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.444 -0.785 . . . . 0.0 113.332 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.763 -1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -137.28 -29.0 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.589 1.155 . . . . 0.0 113.485 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -55.31 -37.64 67.64 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.42 -23.18 0.05 OUTLIER Glycine 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 120.489 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.46 -27.78 57.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.912 1.285 . . . . 0.0 114.147 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.508 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.37 -34.17 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.73 -12.53 55.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.73 17.11 0.02 OUTLIER Glycine 0 CA--C 1.538 1.489 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.025 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -108.09 -44.34 4.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.859 2.064 . . . . 0.0 114.237 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.1 -35.47 69.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.93 0.892 . . . . 0.0 113.21 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.2 -18.55 0.17 Allowed Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.79 -27.03 59.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.642 1.177 . . . . 0.0 114.16 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm -70.08 -38.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.68 -20.42 60.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.649 1.18 . . . . 0.0 113.654 -171.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.78 22.43 0.06 OUTLIER Glycine 0 CA--C 1.537 1.418 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 120.195 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.58 -33.04 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.712 1.205 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -54.83 -32.88 61.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.212 1.405 . . . . 0.0 114.322 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.436 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.11 -18.66 0.15 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 120.576 -1.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.26 -28.51 42.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.203 1.401 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.466 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.466 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -65.17 -31.08 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -85.8 -15.93 40.41 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.251 1.02 . . . . 0.0 113.72 -167.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.34 -16.37 2.94 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.38 1.467 . . . . 0.0 114.396 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.653 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.73 -26.69 1.35 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.789 1.236 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -53.39 -37.93 62.93 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.912 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' C ' ' H ' ' A' ' 9' ' ' GLY . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.12 174.57 35.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 120.955 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.95 -28.57 38.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.646 1.178 . . . . 0.0 114.049 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.417 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.417 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt -55.26 -32.74 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.1 -17.94 58.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.333 1.453 . . . . 0.0 113.512 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.24 164.33 15.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.669 1.128 . . . . 0.0 114.114 176.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 120.759 -1.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -135.09 -23.71 1.49 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.853 1.261 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -55.3 -39.75 70.27 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.83 1.252 . . . . 0.0 113.288 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.04 -13.07 0.05 OUTLIER Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 119.646 1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.84 -27.14 50.01 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.117 1.367 . . . . 0.0 114.002 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 4.7 mt -69.92 -52.48 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.88 -26.82 61.57 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.0 -34.65 1.26 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.359 1.933 . . . . 0.0 116.253 167.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.426 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -135.26 -25.56 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.796 1.238 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -53.42 -40.51 65.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.979 1.312 . . . . 0.0 113.031 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.86 16.5 0.38 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.358 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.03 -25.72 45.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.249 1.419 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm -119.1 -33.62 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp 48.15 26.97 1.15 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.017 1.727 . . . . 0.0 114.496 -167.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 14.59 66.98 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.449 1.023 . . . . 0.0 115.486 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.273 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -134.18 -17.09 2.12 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.86 1.264 . . . . 0.0 113.791 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -54.43 -36.7 64.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.88 -18.9 0.13 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.489 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.78 -26.51 62.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm -60.92 -31.02 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.2 mt -85.59 -13.81 47.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.579 1.151 . . . . 0.0 114.014 -163.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.21 16.14 0.05 OUTLIER Glycine 0 CA--C 1.537 1.431 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.269 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -140.4 -25.95 0.77 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -51.32 -38.02 50.79 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.19 1.396 . . . . 0.0 113.285 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 13.01 0.03 OUTLIER Glycine 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 119.994 1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.47 -28.0 51.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.008 1.323 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 -28.54 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.02 -15.44 60.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.67 1.188 . . . . 0.0 113.507 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.59 -21.85 0.54 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.876 1.227 . . . . 0.0 114.63 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.725 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -138.55 -26.84 0.87 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -53.28 -35.78 60.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.686 1.195 . . . . 0.0 113.459 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.403 ' C ' ' H ' ' A' ' 26' ' ' ASN . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.403 ' H ' ' C ' ' A' ' 24' ' ' THR . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.76 -11.26 0.17 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.34 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.65 -30.34 63.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.917 1.287 . . . . 0.0 114.089 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.05 -35.29 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.5 mt -74.56 -23.75 58.82 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -163.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.13 -14.39 0.86 Allowed Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.882 1.229 . . . . 0.0 114.611 -179.17 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.553 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.26 -26.58 0.33 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.337 1.455 . . . . 0.0 113.317 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -49.69 -40.04 38.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.691 1.997 . . . . 0.0 114.316 -179.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.47 HD23 ' H ' ' A' ' 26' ' ' ASN . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.47 ' H ' HD23 ' A' ' 21' ' ' LEU . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.501 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.02 19.96 0.03 OUTLIER Glycine 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.255 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.17 -24.78 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.46 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.46 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm -70.22 -34.77 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -79.62 -25.14 41.51 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -161.415 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.9 -159.71 31.29 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.442 1.02 . . . . 0.0 113.169 -171.337 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.032 -1.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -138.37 -20.05 1.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.768 1.227 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.16 -39.98 60.78 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.828 1.251 . . . . 0.0 113.006 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.7 -15.1 3.13 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 120.506 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.88 -28.77 38.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.01 1.324 . . . . 0.0 113.813 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm -58.11 -35.37 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 pp -112.97 -19.08 12.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.63 23.53 0.11 Allowed Glycine 0 CA--C 1.535 1.322 0 N-CA-C 114.945 0.738 . . . . 0.0 114.945 -178.875 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.551 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.09 -31.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.79 -37.73 63.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.114 0.965 . . . . 0.0 113.018 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' C ' ' H ' ' A' ' 9' ' ' GLY . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 7' ' ' LEU . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.88 -15.14 0.24 Allowed Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.69 -28.29 60.57 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . 0.404 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . 0.456 HD22 HD11 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.456 HD11 HD22 ' B' ' 26' ' ' ASN . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.8 mm -66.59 -29.26 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.98 -5.86 50.32 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.148 1.379 . . . . 0.0 114.278 -173.844 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.59 14.79 2.02 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.064 1.316 . . . . 0.0 114.529 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.596 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.08 -28.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.75 1.22 . . . . 0.0 113.775 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -53.02 -32.03 44.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.329 1.452 . . . . 0.0 114.063 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.6 -168.49 40.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 120.842 -1.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.58 -31.44 46.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.055 1.342 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.9 -48.08 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 pp -166.75 -29.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.754 1.621 . . . . 0.0 113.856 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.91 18.29 76.08 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 165.581 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.422 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -138.04 -25.41 0.97 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.76 1.224 . . . . 0.0 113.742 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.16 -36.73 61.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.099 1.359 . . . . 0.0 112.991 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 72.9 m-20 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.08 24.17 0.03 OUTLIER Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 120.501 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.57 -26.99 64.18 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.492 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.492 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.71 -31.86 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.72 -22.09 50.91 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -162.578 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.03 21.01 0.04 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.216 0.847 . . . . 0.0 115.216 -178.049 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.53 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -144.34 -31.18 0.45 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.713 1.205 . . . . 0.0 113.607 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -55.47 -33.79 63.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.919 1.287 . . . . 0.0 113.66 178.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.76 24.95 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 O-C-N 120.268 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -55.02 -25.53 30.95 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.36 1.464 . . . . 0.0 114.182 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.74 -32.4 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -82.47 -18.46 41.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.737 1.215 . . . . 0.0 113.53 -165.629 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.91 19.51 0.02 OUTLIER Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.758 1.063 . . . . 0.0 115.758 -178.523 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.159 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.95 -24.7 0.5 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -52.36 -33.29 42.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.946 1.699 . . . . 0.0 115.001 -176.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.99 26.56 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.314 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -54.53 -28.24 44.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.081 1.353 . . . . 0.0 114.382 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm -67.31 -40.91 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.72 -30.4 64.16 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -161.524 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.11 -18.99 3.48 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.122 1.344 . . . . 0.0 114.394 177.332 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.66 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -136.65 -22.53 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.808 1.243 . . . . 0.0 113.93 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -53.51 -33.62 55.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.065 1.346 . . . . 0.0 113.966 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.4 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.5 -13.47 2.02 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 120.566 -1.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.84 -27.62 52.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 114.104 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm -64.7 -29.87 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.29 -14.45 60.5 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.47 1.108 . . . . 0.0 113.696 -170.774 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.02 -20.71 0.67 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.905 1.241 . . . . 0.0 114.58 175.225 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 120.723 -1.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.33 -23.38 0.82 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -53.14 -35.45 59.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.342 1.457 . . . . 0.0 114.755 -177.376 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.1 -154.64 36.54 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.1 -29.11 43.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.056 1.342 . . . . 0.0 114.225 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.433 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm -56.25 -33.28 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 mt -79.6 -22.78 43.25 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.425 1.09 . . . . 0.0 113.829 -166.838 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.88 19.74 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -176.005 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 120.27 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 29' ' ' LEU . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.56 ' HB ' HG21 ' B' ' 46' ' ' ILE . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.463 HD23 HD13 ' B' ' 43' ' ' LEU . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LEU . . . . . 0.51 HD12 HD11 ' B' ' 43' ' ' LEU . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.56 HG21 ' HB ' ' A' ' 24' ' ' THR . 23.2 mt . . . . . 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.585 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' B' ' 17' ' ' TYR . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CE1' HD21 ' A' ' 6' ' ' LEU . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' B' ' 42' ' ' TRP . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' TRP . . . . . 0.582 ' HB3' HD11 ' A' ' 32' ' ' ILE . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 29' ' ' LEU . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' B' ' 32' ' ' ILE . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.49 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 47' ' ' LEU . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.536 HG13 HG11 ' B' ' 28' ' ' VAL . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 3' ' ' LEU . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB3' HD11 ' B' ' 32' ' ' ILE . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 42' ' ' TRP . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.595 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 28' ' ' VAL . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.444 ' HA ' HD22 ' B' ' 21' ' ' LEU 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' TRP . . . . . 0.424 ' HB3' HD11 ' A' ' 32' ' ' ILE . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' B' ' 11' ' ' LEU . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.539 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 40' ' ' ILE . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' HG21 ' B' ' 46' ' ' ILE . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 10' ' ' GLU . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.523 HG21 ' HB ' ' A' ' 24' ' ' THR . 4.7 mt . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' ' 29' ' ' LEU . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 40' ' ' ILE . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 40' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' B' ' 10' ' ' GLU . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.419 ' HB ' HG21 ' B' ' 46' ' ' ILE . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 8' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' B' B ' 46' ' ' ILE . . . . . 0.419 HG21 ' HB ' ' A' ' 24' ' ' THR . 8.8 mm . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' HB3' HD11 ' B' ' 32' ' ' ILE . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.402 ' H ' HD12 ' B' ' 29' ' ' LEU . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 39' ' ' HIS . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 29' ' ' LEU . . . . . 0.46 HD12 ' H ' ' B' ' 29' ' ' LEU . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.49 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 38' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.18 -25.46 0.48 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -51.7 -36.56 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.572 1.549 . . . . 0.0 114.678 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 -20.57 0.02 OUTLIER Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 120.205 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.78 -27.51 59.83 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.758 1.223 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.415 HD12 ' H ' ' B' ' 29' ' ' LEU . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.62 -36.13 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.92 -16.31 63.75 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 -8.47 87.39 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.68 1.133 . . . . 0.0 114.73 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.303 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.49 -23.43 1.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.672 1.189 . . . . 0.0 113.754 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -52.76 -42.57 65.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.164 0.986 . . . . 0.0 111.852 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.56 ' HB ' HG21 ' B' ' 46' ' ' ILE . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.63 -4.31 0.04 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.36 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.16 -27.4 45.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 0.0 113.976 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.463 HD23 HD13 ' B' ' 43' ' ' LEU . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LEU . . . . . 0.51 HD12 HD11 ' B' ' 43' ' ' LEU . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.56 HG21 ' HB ' ' A' ' 24' ' ' THR . 23.2 mt -65.75 -28.23 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.09 -19.46 64.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.9 -1.125 . . . . 0.0 113.759 171.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.89 -2.49 84.06 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.906 1.241 . . . . 0.0 114.402 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.361 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -143.27 -22.52 0.61 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.705 1.202 . . . . 0.0 114.153 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -51.68 -34.28 37.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.049 1.74 . . . . 0.0 115.052 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 HD12 ' H ' ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.87 26.48 0.02 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.41 -30.0 59.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.175 0.99 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt -51.13 -39.22 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.05 -15.45 60.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.128 1.371 . . . . 0.0 113.393 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.35 -2.75 41.24 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.567 1.556 . . . . 0.0 114.3 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.51 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.27 -32.27 0.47 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.13 0.972 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -54.7 -36.33 64.56 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.817 1.247 . . . . 0.0 113.515 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.35 -5.83 61.01 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 120.583 -1.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.48 -28.01 58.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.812 1.245 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.62 -34.34 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.27 -16.22 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.809 1.243 . . . . 0.0 113.508 -172.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.89 6.26 43.62 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.566 1.555 . . . . 0.0 114.144 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.447 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -143.13 -22.99 0.62 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.594 1.157 . . . . 0.0 114.035 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -50.99 -38.13 49.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 112.792 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.49 -19.95 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 120.581 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -55.3 -30.23 59.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.86 1.264 . . . . 0.0 114.062 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.585 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.9 -38.41 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mp 40.23 36.42 0.33 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.769 2.027 . . . . 0.0 115.087 -168.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.79 -13.97 5.87 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.392 0.996 . . . . 0.0 115.531 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.37 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.3 -21.28 0.34 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -57.58 -43.28 84.45 Favored 'General case' 0 CA--C 1.502 -0.896 0 O-C-N 121.153 -0.967 . . . . 0.0 111.858 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' B' ' 17' ' ' TYR . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 168.64 38.32 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 121.212 -1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.73 -26.53 61.94 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.492 1.117 . . . . 0.0 113.843 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CE1' HD21 ' A' ' 6' ' ' LEU . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.85 -37.3 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 41.04 47.92 2.78 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.845 1.658 . . . . 0.0 113.506 -170.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.42 -167.23 26.6 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.562 1.553 . . . . 0.0 114.098 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.675 -1.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -137.73 -23.15 1.07 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.89 1.276 . . . . 0.0 113.781 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -50.83 -34.02 26.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.979 1.712 . . . . 0.0 115.216 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.29 177.88 36.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.796 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.23 -31.05 61.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.835 1.254 . . . . 0.0 114.122 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm -67.36 -30.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.61 -10.26 54.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.788 1.235 . . . . 0.0 114.108 -170.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.55 161.34 24.8 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.134 0.874 . . . . 0.0 113.981 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 120.826 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.98 -30.22 0.53 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 113.929 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -55.97 -36.88 68.32 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' B' ' 42' ' ' TRP . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.92 -22.43 0.1 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 120.629 -1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.07 -29.83 61.09 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.743 1.217 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' TRP . . . . . 0.582 ' HB3' HD11 ' A' ' 32' ' ' ILE . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm -66.53 -34.98 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.95 -15.76 62.08 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.927 1.291 . . . . 0.0 113.32 -175.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.15 2.47 56.56 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.498 1.523 . . . . 0.0 114.288 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 120.462 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.01 -18.98 2.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.705 1.202 . . . . 0.0 113.903 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -50.53 -39.47 49.03 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.408 1.083 . . . . 0.0 112.202 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 29' ' ' LEU . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.9 81.37 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 120.497 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.22 -30.02 61.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.789 1.236 . . . . 0.0 114.233 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm -65.8 -34.97 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.14 -8.69 56.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.824 1.25 . . . . 0.0 113.639 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.82 8.1 23.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.889 1.709 . . . . 0.0 114.051 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.518 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -142.3 -25.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.68 -37.27 58.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.756 1.222 . . . . 0.0 112.329 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -167.96 23.45 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 120.843 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -24.98 58.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' B' ' 32' ' ' ILE . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.49 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt -50.39 -34.73 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.69 -15.0 43.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.695 1.198 . . . . 0.0 114.148 -167.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.58 22.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.931 1.132 . . . . 0.0 115.931 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 120.262 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -129.35 -20.97 3.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.914 1.285 . . . . 0.0 113.664 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -53.3 -39.48 64.03 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.913 1.285 . . . . 0.0 113.423 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.27 21.77 0.03 OUTLIER Glycine 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.202 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.32 -25.16 47.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm -90.45 -20.02 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mp 41.85 35.29 0.51 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.398 1.879 . . . . 0.0 113.604 -165.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.03 23.57 47.04 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.676 1.132 . . . . 0.0 115.443 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.058 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -148.96 -31.63 0.24 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.265 1.026 . . . . 0.0 113.086 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.855 1.262 . . . . 0.0 114.363 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 47' ' ' LEU . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.536 HG13 HG11 ' B' ' 28' ' ' VAL . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 3' ' ' LEU . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.4 -20.12 0.02 OUTLIER Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 120.469 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -26.13 63.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.57 -41.81 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.06 48.68 4.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.018 1.727 . . . . 0.0 114.422 -172.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.29 152.13 21.93 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.444 -0.785 . . . . 0.0 113.332 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.763 -1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -137.28 -29.0 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.589 1.155 . . . . 0.0 113.485 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -55.31 -37.64 67.64 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB3' HD11 ' B' ' 32' ' ' ILE . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.42 -23.18 0.05 OUTLIER Glycine 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 120.489 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.46 -27.78 57.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.912 1.285 . . . . 0.0 114.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 42' ' ' TRP . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.595 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.37 -34.17 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.73 -12.53 55.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.73 17.11 0.02 OUTLIER Glycine 0 CA--C 1.538 1.489 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.025 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -108.09 -44.34 4.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.859 2.064 . . . . 0.0 114.237 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.1 -35.47 69.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.93 0.892 . . . . 0.0 113.21 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 28' ' ' VAL . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.2 -18.55 0.17 Allowed Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.79 -27.03 59.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.642 1.177 . . . . 0.0 114.16 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.444 ' HA ' HD22 ' B' ' 21' ' ' LEU 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' TRP . . . . . 0.424 ' HB3' HD11 ' A' ' 32' ' ' ILE . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm -70.08 -38.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.68 -20.42 60.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.649 1.18 . . . . 0.0 113.654 -171.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.78 22.43 0.06 OUTLIER Glycine 0 CA--C 1.537 1.418 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 120.195 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.58 -33.04 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.712 1.205 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -54.83 -32.88 61.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.212 1.405 . . . . 0.0 114.322 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.11 -18.66 0.15 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 120.576 -1.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.26 -28.51 42.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.203 1.401 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' B' ' 11' ' ' LEU . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.539 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -65.17 -31.08 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -85.8 -15.93 40.41 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.251 1.02 . . . . 0.0 113.72 -167.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.34 -16.37 2.94 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.38 1.467 . . . . 0.0 114.396 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.653 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.73 -26.69 1.35 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.789 1.236 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -53.39 -37.93 62.93 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.912 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.12 174.57 35.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 120.955 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.95 -28.57 38.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.646 1.178 . . . . 0.0 114.049 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt -55.26 -32.74 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.1 -17.94 58.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.333 1.453 . . . . 0.0 113.512 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.24 164.33 15.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.669 1.128 . . . . 0.0 114.114 176.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 120.759 -1.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -135.09 -23.71 1.49 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.853 1.261 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -55.3 -39.75 70.27 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.83 1.252 . . . . 0.0 113.288 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 40' ' ' ILE . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' HG21 ' B' ' 46' ' ' ILE . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 10' ' ' GLU . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.04 -13.07 0.05 OUTLIER Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 119.646 1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.84 -27.14 50.01 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.117 1.367 . . . . 0.0 114.002 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.523 HG21 ' HB ' ' A' ' 24' ' ' THR . 4.7 mt -69.92 -52.48 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.88 -26.82 61.57 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.0 -34.65 1.26 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.359 1.933 . . . . 0.0 116.253 167.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.426 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -135.26 -25.56 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.796 1.238 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -53.42 -40.51 65.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.979 1.312 . . . . 0.0 113.031 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD12 ' H ' ' A' ' 29' ' ' LEU . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.86 16.5 0.38 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.358 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.03 -25.72 45.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.249 1.419 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm -119.1 -33.62 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp 48.15 26.97 1.15 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.017 1.727 . . . . 0.0 114.496 -167.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 14.59 66.98 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.449 1.023 . . . . 0.0 115.486 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.273 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -134.18 -17.09 2.12 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.86 1.264 . . . . 0.0 113.791 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -54.43 -36.7 64.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.88 -18.9 0.13 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.489 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.78 -26.51 62.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm -60.92 -31.02 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.2 mt -85.59 -13.81 47.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.579 1.151 . . . . 0.0 114.014 -163.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.21 16.14 0.05 OUTLIER Glycine 0 CA--C 1.537 1.431 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.269 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -140.4 -25.95 0.77 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -51.32 -38.02 50.79 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.19 1.396 . . . . 0.0 113.285 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 13.01 0.03 OUTLIER Glycine 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 119.994 1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.47 -28.0 51.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.008 1.323 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 -28.54 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.02 -15.44 60.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.67 1.188 . . . . 0.0 113.507 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.59 -21.85 0.54 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.876 1.227 . . . . 0.0 114.63 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.725 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -138.55 -26.84 0.87 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -53.28 -35.78 60.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.686 1.195 . . . . 0.0 113.459 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.76 -11.26 0.17 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.34 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.65 -30.34 63.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.917 1.287 . . . . 0.0 114.089 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 40' ' ' ILE . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 24.1 m120 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 40' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' B' ' 10' ' ' GLU . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.05 -35.29 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.5 mt -74.56 -23.75 58.82 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -163.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.13 -14.39 0.86 Allowed Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.882 1.229 . . . . 0.0 114.611 -179.17 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.553 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.26 -26.58 0.33 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.337 1.455 . . . . 0.0 113.317 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -49.69 -40.04 38.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.691 1.997 . . . . 0.0 114.316 -179.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.02 19.96 0.03 OUTLIER Glycine 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.255 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.17 -24.78 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm -70.22 -34.77 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -79.62 -25.14 41.51 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -161.415 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.9 -159.71 31.29 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.442 1.02 . . . . 0.0 113.169 -171.337 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.032 -1.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -138.37 -20.05 1.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.768 1.227 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.16 -39.98 60.78 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.828 1.251 . . . . 0.0 113.006 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.7 -15.1 3.13 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 120.506 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.88 -28.77 38.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.01 1.324 . . . . 0.0 113.813 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm -58.11 -35.37 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 pp -112.97 -19.08 12.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.913 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.63 23.53 0.11 Allowed Glycine 0 CA--C 1.535 1.322 0 N-CA-C 114.945 0.738 . . . . 0.0 114.945 -178.875 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.551 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.09 -31.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.79 -37.73 63.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.114 0.965 . . . . 0.0 113.018 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.419 ' HB ' HG21 ' B' ' 46' ' ' ILE . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.88 -15.14 0.24 Allowed Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.69 -28.29 60.57 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 8' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 23.0 p30 -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 46' ' ' ILE . . . . . 0.419 HG21 ' HB ' ' A' ' 24' ' ' THR . 8.8 mm -66.59 -29.26 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.98 -5.86 50.32 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.148 1.379 . . . . 0.0 114.278 -173.844 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.59 14.79 2.02 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.064 1.316 . . . . 0.0 114.529 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.596 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.08 -28.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.75 1.22 . . . . 0.0 113.775 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -53.02 -32.03 44.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.329 1.452 . . . . 0.0 114.063 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' HB3' HD11 ' B' ' 32' ' ' ILE . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.6 -168.49 40.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 120.842 -1.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.58 -31.44 46.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.055 1.342 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.402 ' H ' HD12 ' B' ' 29' ' ' LEU . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.9 -48.08 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 pp -166.75 -29.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.754 1.621 . . . . 0.0 113.856 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.91 18.29 76.08 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 165.581 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.422 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -138.04 -25.41 0.97 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.76 1.224 . . . . 0.0 113.742 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.16 -36.73 61.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.099 1.359 . . . . 0.0 112.991 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.08 24.17 0.03 OUTLIER Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 120.501 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.57 -26.99 64.18 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.71 -31.86 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.72 -22.09 50.91 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -162.578 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.03 21.01 0.04 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.216 0.847 . . . . 0.0 115.216 -178.049 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.53 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -144.34 -31.18 0.45 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.713 1.205 . . . . 0.0 113.607 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -55.47 -33.79 63.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.919 1.287 . . . . 0.0 113.66 178.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.76 24.95 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 O-C-N 120.268 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -55.02 -25.53 30.95 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.36 1.464 . . . . 0.0 114.182 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.74 -32.4 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -82.47 -18.46 41.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.737 1.215 . . . . 0.0 113.53 -165.629 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.91 19.51 0.02 OUTLIER Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.758 1.063 . . . . 0.0 115.758 -178.523 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.159 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.95 -24.7 0.5 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -52.36 -33.29 42.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.946 1.699 . . . . 0.0 115.001 -176.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 39' ' ' HIS . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.99 26.56 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.314 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -54.53 -28.24 44.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.081 1.353 . . . . 0.0 114.382 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.46 HD12 ' H ' ' B' ' 29' ' ' LEU . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm -67.31 -40.91 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.72 -30.4 64.16 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -161.524 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.11 -18.99 3.48 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.122 1.344 . . . . 0.0 114.394 177.332 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.66 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -136.65 -22.53 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.808 1.243 . . . . 0.0 113.93 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -53.51 -33.62 55.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.065 1.346 . . . . 0.0 113.966 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.5 -13.47 2.02 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 120.566 -1.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.84 -27.62 52.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 114.104 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm -64.7 -29.87 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.29 -14.45 60.5 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.47 1.108 . . . . 0.0 113.696 -170.774 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.02 -20.71 0.67 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.905 1.241 . . . . 0.0 114.58 175.225 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 120.723 -1.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.33 -23.38 0.82 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -53.14 -35.45 59.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.342 1.457 . . . . 0.0 114.755 -177.376 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.1 -154.64 36.54 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.1 -29.11 43.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.056 1.342 . . . . 0.0 114.225 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.49 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm -56.25 -33.28 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 mt -79.6 -22.78 43.25 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.425 1.09 . . . . 0.0 113.829 -166.838 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.88 19.74 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -176.005 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 120.27 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 . . . . . 0 N--CA 1.47 0.534 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.863 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.415 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm . . . . . 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.467 0.4 0 N-CA-C 111.852 0.315 . . . . 0.0 111.852 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.56 ' HB ' HG21 ' B' ' 46' ' ' ILE . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.463 HD23 HD13 ' B' ' 43' ' ' LEU . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . 0.51 HD12 HD11 ' B' ' 43' ' ' LEU . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.56 HG21 ' HB ' ' A' ' 24' ' ' THR . 23.2 mt . . . . . 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 . . . . . 0 N--CA 1.473 0.695 0 N-CA-C 115.052 1.501 . . . . 0.0 115.052 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 . . . . . 0 N--CA 1.47 0.567 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.477 0.922 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm . . . . . 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 . . . . . 0 N--CA 1.474 0.726 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.062 1.134 . . . . 0.0 114.062 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.585 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt . . . . . 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 CA--C 1.502 -0.896 0 CA-C-O 118.916 -0.564 . . . . 0.0 111.858 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' B' ' 17' ' ' TYR . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CE1' HD21 ' A' ' 6' ' ' LEU . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt . . . . . 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 . . . . . 0 N--CA 1.469 0.513 0 N-CA-C 115.216 1.562 . . . . 0.0 115.216 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' B' ' 42' ' ' TRP . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . 0.582 ' HB3' HD11 ' A' ' 32' ' ' ILE . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm . . . . . 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.472 0.625 0 N-CA-C 112.202 0.445 . . . . 0.0 112.202 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 29' ' ' LEU . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 . . . . . 0 N--CA 1.476 0.856 0 N-CA-C 114.233 1.197 . . . . 0.0 114.233 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm . . . . . 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 . . . . . 0 N--CA 1.471 0.619 0 N-CA-C 112.329 0.492 . . . . 0.0 112.329 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' B' ' 32' ' ' ILE . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.49 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt . . . . . 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 . . . . . 0 N--CA 1.469 0.515 0 N-CA-C 113.423 0.898 . . . . 0.0 113.423 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.476 0.857 0 N-CA-C 114.101 1.148 . . . . 0.0 114.101 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 CA--C 1.536 0.416 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 47' ' ' LEU . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.536 HG13 HG11 ' B' ' 28' ' ' VAL . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 3' ' ' LEU . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 . . . . . 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB3' HD11 ' B' ' 32' ' ' ILE . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.477 0.905 0 N-CA-C 114.147 1.166 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 42' ' ' TRP . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.595 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt . . . . . 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 . . . . . 0 N--CA 1.476 0.844 0 N-CA-C 113.21 0.819 . . . . 0.0 113.21 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 28' ' ' VAL . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.476 0.865 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.444 ' HA ' HD22 ' B' ' 21' ' ' LEU 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . 0.424 ' HB3' HD11 ' A' ' 32' ' ' ILE . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm . . . . . 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 . . . . . 0 N--CA 1.47 0.572 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' B' ' 11' ' ' LEU . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.539 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm . . . . . 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.471 0.613 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.477 0.9 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt . . . . . 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.469 0.493 0 N-CA-C 113.288 0.848 . . . . 0.0 113.288 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 40' ' ' ILE . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' HG21 ' B' ' 46' ' ' ILE . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 10' ' ' GLU . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.523 HG21 ' HB ' ' A' ' 24' ' ' THR . 4.7 mt . . . . . 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.47 0.549 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 29' ' ' LEU . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 N--CA 1.476 0.837 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm . . . . . 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm . . . . . 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm . . . . . 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 . . . . . 0 N--CA 1.472 0.649 0 N-CA-C 113.459 0.911 . . . . 0.0 113.459 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.476 0.841 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 40' ' ' ILE . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' B' ' 10' ' ' GLU . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm . . . . . 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 . . . . . 0 N--CA 1.468 0.444 0 N-CA-C 114.316 1.228 . . . . 0.0 114.316 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm . . . . . 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.472 0.641 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm . . . . . 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.419 ' HB ' HG21 ' B' ' 46' ' ' ILE . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 . . . . . 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . 0.452 HD21 HD12 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.452 HD12 HD21 ' B' ' 26' ' ' ASN . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . 0.419 HG21 ' HB ' ' A' ' 24' ' ' THR . 8.8 mm . . . . . 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 . . . . . 0 N--CA 1.473 0.709 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.415 ' HB3' HD11 ' B' ' 32' ' ' ILE . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.402 ' H ' HD12 ' B' ' 29' ' ' LEU . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.416 ' HB ' HD22 ' A' ' 26' ' ' ASN . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 24' ' ' THR . 72.9 m-20 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 . . . . . 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm . . . . . 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 . . . . . 0 N--CA 1.473 0.702 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 39' ' ' HIS . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.475 0.824 0 N-CA-C 114.382 1.253 . . . . 0.0 114.382 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm . . . . . 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 . . . . . 0 CA--C 1.54 0.571 0 N-CA-C 113.966 1.099 . . . . 0.0 113.966 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm . . . . . 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 . . . . . 0 N--CA 1.472 0.658 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 . . . . . 0 N--CA 1.476 0.835 0 N-CA-C 114.225 1.195 . . . . 0.0 114.225 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.49 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.027 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -145.18 -25.46 0.48 Allowed 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 35.3 p90 -51.7 -36.56 47.18 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.572 1.549 . . . . 0.0 114.678 -175.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 93.7 mt -62.01 -44.9 95.74 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.069 0.948 . . . . 0.0 111.952 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.6 ttm180 -66.68 -38.27 86.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 122.478 0.311 . . . . 0.0 111.642 175.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.27 -37.13 86.05 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 174.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.97 -59.46 5.33 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 126.729 2.012 . . . . 0.0 112.303 169.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 mt -57.74 -42.37 83.76 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 126.008 1.723 . . . . 0.0 113.351 -175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 4.1 mmpt? -58.86 -33.66 70.71 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.0 0.92 . . . . 0.0 112.7 177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.46 -38.25 10.0 Favored Glycine 0 C--N 1.335 0.497 0 N-CA-C 116.116 1.206 . . . . 0.0 116.116 -173.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -62.83 -29.97 71.14 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-N 119.003 1.401 . . . . 0.0 112.974 172.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.04 -29.15 70.32 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 121.43 -0.794 . . . . 0.0 112.284 175.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -69.36 -12.56 61.76 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 126.379 1.872 . . . . 0.0 112.581 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.57 -33.34 4.19 Favored Glycine 0 CA--C 1.527 0.789 0 C-N-CA 124.997 1.284 . . . . 0.0 112.811 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -58.44 -48.87 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 119.206 1.503 . . . . 0.0 111.106 -175.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -70.52 -26.02 63.39 Favored 'General case' 0 N--CA 1.47 0.532 0 N-CA-C 113.896 1.072 . . . . 0.0 113.896 -174.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 mm-40 -78.29 -39.69 39.14 Favored 'General case' 0 N--CA 1.462 0.134 0 C-N-CA 124.337 1.055 . . . . 0.0 112.718 177.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 8.8 m-85 -61.93 -35.08 77.34 Favored 'General case' 0 CA--C 1.53 0.201 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 177.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 ttt180 -65.91 -21.23 66.43 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.245 0.618 . . . . 0.0 112.652 179.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -78.06 -31.94 50.55 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.64 0.978 . . . . 0.0 113.64 173.134 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -74.25 -21.07 59.93 Favored 'General case' 0 CA--C 1.537 0.473 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -163.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.0 tt -63.41 -20.65 65.73 Favored 'General case' 0 N--CA 1.466 0.351 0 O-C-N 121.34 -0.85 . . . . 0.0 111.949 174.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -66.53 -24.3 66.36 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 173.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.6 m-85 -113.91 -31.63 6.34 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.604 1.162 . . . . 0.0 112.515 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.4 p -87.55 -34.68 18.5 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 176.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 41.26 39.84 1.05 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 125.874 1.67 . . . . 0.0 114.159 -168.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -108.43 152.92 42.26 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 124.679 1.191 . . . . 0.0 113.911 -173.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -72.67 -10.39 25.05 Favored 'Trans proline' 0 C--N 1.353 0.803 0 C-N-CA 123.969 3.113 . . . . 0.0 113.524 173.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.9 p -61.96 -38.69 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.554 0 O-C-N 121.093 -1.004 . . . . 0.0 112.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 88.0 mt -68.58 -32.36 72.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 123.904 0.881 . . . . 0.0 111.562 178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.54 5.64 1.33 Allowed 'General case' 0 CA--C 1.552 1.055 0 C-N-CA 125.352 1.461 . . . . 0.0 114.133 168.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -120.46 -45.95 2.4 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 126.126 1.77 . . . . 0.0 111.852 165.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.417 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 48.7 mt -61.74 -65.86 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 C-N-CA 123.442 0.697 . . . . 0.0 110.719 -176.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.45 -23.08 61.01 Favored 'General case' 0 N--CA 1.465 0.297 0 O-C-N 121.926 -0.484 . . . . 0.0 111.47 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -58.48 -38.1 76.9 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 118.115 0.416 . . . . 0.0 110.412 170.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -72.44 -50.18 28.13 Favored 'General case' 0 C--N 1.339 0.147 0 N-CA-C 113.976 1.102 . . . . 0.0 113.976 169.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -56.41 -24.02 42.13 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 120.42 1.464 . . . . 0.0 113.038 178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -69.66 -39.52 77.01 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.583 0.753 . . . . 0.0 110.986 178.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -79.73 -41.04 27.5 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.912 1.685 . . . . 0.0 111.293 177.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -51.43 -47.47 63.0 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 126.125 1.77 . . . . 0.0 114.587 -171.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.6 mt -58.69 -49.46 82.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 CA-C-N 119.156 0.889 . . . . 0.0 110.584 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -68.2 -34.38 76.17 Favored 'General case' 0 CA--C 1.535 0.404 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 175.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 25.0 m0 -56.31 -44.0 79.48 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 124.796 1.239 . . . . 0.0 113.892 171.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 14.3 mt -63.94 -38.93 92.9 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 120.37 1.441 . . . . 0.0 111.717 171.004 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -78.68 -43.21 26.55 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.13 1.372 . . . . 0.0 113.847 -171.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 15.5 m -49.36 -34.08 15.15 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.408 1.483 . . . . 0.0 112.296 175.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.8 mm -62.36 -35.82 71.49 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 N-CA-C 113.932 1.086 . . . . 0.0 113.932 176.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.06 -18.18 65.08 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 114.841 1.422 . . . . 0.0 114.841 -169.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.89 -20.57 0.02 OUTLIER Glycine 0 CA--C 1.537 1.42 0 N-CA-C 115.736 1.054 . . . . 0.0 115.736 174.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.33 0 O-C-N 120.205 -1.762 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.12 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.78 -27.51 59.83 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.758 1.223 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -54.9 -35.05 63.71 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.53 1.132 . . . . 0.0 113.514 174.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 92.1 mt -63.74 -46.71 84.11 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 124.247 1.019 . . . . 0.0 111.78 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 70.7 ttt180 -57.49 -41.83 81.52 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.719 0.808 . . . . 0.0 111.323 173.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -67.3 -37.04 82.73 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 123.463 0.705 . . . . 0.0 112.377 177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -64.79 -53.55 45.2 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 125.978 1.711 . . . . 0.0 112.817 174.038 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 73.1 mt -58.44 -47.47 83.87 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.178 1.391 . . . . 0.0 113.144 -175.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -93.15 93.1 8.09 Favored 'General case' 0 N--CA 1.464 0.273 0 C-N-CA 126.221 1.808 . . . . 0.0 111.51 -163.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.39 -9.43 2.42 Favored Glycine 0 CA--C 1.522 0.521 0 C-N-CA 125.311 1.434 . . . . 0.0 114.936 178.474 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.22 -37.15 76.78 Favored 'General case' 0 CA--C 1.558 1.286 0 O-C-N 121.398 -1.06 . . . . 0.0 110.55 166.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.3 -20.18 63.9 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 129.635 3.174 . . . . 0.0 117.469 164.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 50.8 mt-30 -72.02 -7.9 51.45 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.168 0.587 . . . . 0.0 111.614 162.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.04 -50.5 1.15 Allowed Glycine 0 CA--C 1.535 1.334 0 C-N-CA 125.158 1.361 . . . . 0.0 112.555 164.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 49.9 mt -50.11 -51.61 16.76 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.364 1.582 . . . . 0.0 112.219 -174.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 37.1 mtmt -69.76 -34.21 73.47 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.149 0.796 . . . . 0.0 113.149 -178.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.88 -42.09 81.77 Favored 'General case' 0 N--CA 1.464 0.236 0 C-N-CA 124.411 1.084 . . . . 0.0 112.468 177.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.62 -38.89 89.33 Favored 'General case' 0 C--O 1.234 0.241 0 C-N-CA 124.169 0.988 . . . . 0.0 112.841 174.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.95 -30.6 71.67 Favored 'General case' 0 N--CA 1.467 0.376 0 N-CA-C 112.939 0.718 . . . . 0.0 112.939 179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -80.42 -37.14 32.64 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.497 1.119 . . . . 0.0 112.682 174.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.69 -33.74 75.7 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 126.005 1.722 . . . . 0.0 113.39 -174.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -60.63 -24.17 65.32 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -64.94 -26.5 68.33 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.698 1.135 . . . . 0.0 113.433 174.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -92.28 -45.66 8.11 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.799 1.24 . . . . 0.0 113.71 170.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.9 p -78.42 -38.56 41.12 Favored 'General case' 0 N--CA 1.482 1.135 0 CA-C-N 120.024 1.284 . . . . 0.0 113.721 -174.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 60.2 m-70 49.88 50.28 18.71 Favored 'General case' 0 CA--C 1.554 1.135 0 C-N-CA 126.424 1.889 . . . . 0.0 113.816 -170.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -122.31 146.41 46.97 Favored Pre-proline 0 N--CA 1.482 1.137 0 C-N-CA 124.697 1.199 . . . . 0.0 114.15 -175.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.4 Cg_endo -74.43 -12.68 22.83 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 123.873 3.049 . . . . 0.0 113.684 -179.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.44 -33.49 63.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 O-C-N 121.225 -0.922 . . . . 0.0 112.797 -179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.415 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.7 mp -66.16 -28.77 69.03 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 120.833 -1.167 . . . . 0.0 111.469 175.023 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.57 19.2 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 125.063 1.345 . . . . 0.0 113.708 165.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -128.53 -42.93 1.44 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.809 2.444 . . . . 0.0 111.081 162.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.9 mp -62.29 -67.91 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 CA-C-N 119.357 0.981 . . . . 0.0 110.61 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.91 -26.33 65.93 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.581 0.628 . . . . 0.0 111.666 -177.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -57.68 -38.08 74.54 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 111.897 0.332 . . . . 0.0 111.897 169.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.556 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -83.91 -40.83 18.08 Favored 'General case' 0 CA--C 1.531 0.244 0 N-CA-C 114.55 1.315 . . . . 0.0 114.55 176.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 60.9 mm-40 -57.22 -26.98 61.58 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 121.07 1.759 . . . . 0.0 113.057 174.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -65.37 -31.16 72.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.49 0.716 . . . . 0.0 111.472 176.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.556 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.5 mtmt -83.92 -44.55 14.13 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.565 1.546 . . . . 0.0 111.675 173.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.7 m170 -48.14 -44.84 32.53 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 126.553 1.941 . . . . 0.0 114.989 -168.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 62.2 mt -61.54 -57.72 10.83 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.9 0 CA-C-N 117.939 0.336 . . . . 0.0 111.068 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -67.65 -28.13 67.45 Favored 'General case' 0 CA--C 1.534 0.345 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 -179.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.0 m0 -54.03 -57.24 11.8 Favored 'General case' 0 CA--C 1.531 0.221 0 C-N-CA 124.978 1.311 . . . . 0.0 112.693 167.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.09 -26.29 56.31 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 120.613 1.551 . . . . 0.0 113.753 179.19 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 10.6 tm-20 -69.8 -36.5 75.72 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.468 -0.77 . . . . 0.0 112.602 175.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -60.43 -34.08 73.46 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 119.295 0.952 . . . . 0.0 112.774 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.4 mm -63.62 -36.13 75.3 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.675 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -174.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -65.92 -16.31 63.75 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -175.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -78.08 -8.47 87.39 Favored Glycine 0 CA--C 1.54 1.628 0 C-N-CA 124.68 1.133 . . . . 0.0 114.73 173.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.303 -1.704 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -135.49 -23.43 1.44 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.672 1.189 . . . . 0.0 113.754 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -52.76 -42.57 65.09 Favored 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.164 0.986 . . . . 0.0 111.852 175.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.7 mt -62.07 -35.6 79.12 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.978 1.311 . . . . 0.0 111.821 -172.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 5.9 tpp85 -60.37 -49.91 75.69 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.829 1.252 . . . . 0.0 111.006 170.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -70.37 -37.99 74.69 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-O 121.245 0.545 . . . . 0.0 111.684 -176.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 42.8 mt -58.82 -62.15 2.09 Favored 'General case' 0 CA--C 1.532 0.262 0 C-N-CA 127.834 2.454 . . . . 0.0 112.376 176.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 34.1 tp -66.19 -48.18 71.51 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.387 1.075 . . . . 0.0 111.806 -176.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 41.5 tptt -67.33 -24.87 65.78 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.412 0.685 . . . . 0.0 112.688 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.88 -32.81 5.22 Favored Glycine 0 N--CA 1.443 -0.858 0 N-CA-C 117.344 1.698 . . . . 0.0 117.344 -172.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -59.08 -33.62 71.03 Favored 'General case' 0 N--CA 1.474 0.77 0 CA-C-N 118.685 1.243 . . . . 0.0 112.226 172.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -67.26 -27.13 66.95 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -68.35 -17.97 64.37 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.786 1.634 . . . . 0.0 112.085 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.75 -37.82 7.8 Favored Glycine 0 C--N 1.342 0.901 0 CA-C-O 119.417 -0.657 . . . . 0.0 112.12 175.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 82.2 mt -58.3 -45.98 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.272 1.036 . . . . 0.0 111.246 -173.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -71.8 -28.11 63.38 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -173.14 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -78.34 -39.68 38.77 Favored 'General case' 0 C--O 1.232 0.182 0 C-N-CA 124.309 1.044 . . . . 0.0 112.143 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -61.54 -36.15 79.76 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.449 0.907 . . . . 0.0 113.449 177.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.56 -24.63 65.54 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.529 0.566 . . . . 0.0 112.529 178.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -83.01 -34.51 26.29 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 124.276 1.031 . . . . 0.0 112.905 176.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.92 -27.16 65.51 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.888 1.275 . . . . 0.0 113.21 -165.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -54.04 -27.76 34.22 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.314 1.046 . . . . 0.0 111.886 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -60.67 -27.9 68.19 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 114.23 1.196 . . . . 0.0 114.23 175.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -111.46 3.28 17.99 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.257 1.423 . . . . 0.0 113.721 -179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.56 ' HB ' HG21 ' B' ' 46' ' ' ILE . 47.4 p -137.63 -23.21 1.08 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 -171.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.2 m-70 41.58 39.29 1.08 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 127.373 2.269 . . . . 0.0 116.52 168.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -114.34 158.82 38.81 Favored Pre-proline 0 CA--C 1.55 0.945 0 C-N-CA 124.473 1.109 . . . . 0.0 113.482 -174.508 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_endo -75.8 -5.69 16.7 Favored 'Trans proline' 0 CA--C 1.541 0.854 0 C-N-CA 123.613 2.875 . . . . 0.0 113.483 176.171 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -81.0 -32.16 12.41 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.397 0 C-N-CA 124.952 1.301 . . . . 0.0 111.17 -172.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.1 mp -62.6 -37.6 86.9 Favored 'General case' 0 CA--C 1.541 0.628 0 O-C-N 121.202 -0.936 . . . . 0.0 111.002 174.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.95 13.4 0.15 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 126.718 2.007 . . . . 0.0 114.648 169.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 1.7 tpmt? -131.86 -40.29 1.07 Allowed 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 126.793 2.037 . . . . 0.0 112.032 173.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.3 mt -62.49 -61.46 1.63 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.806 0.842 . . . . 0.0 110.996 175.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.56 -20.68 59.86 Favored 'General case' 0 N--CA 1.468 0.431 0 O-C-N 121.67 -0.644 . . . . 0.0 111.699 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -60.07 -37.01 78.62 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 118.234 0.47 . . . . 0.0 110.585 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.59 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 86.1 m-20 -72.56 -48.17 42.21 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 114.469 1.285 . . . . 0.0 114.469 168.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -56.99 -22.84 41.48 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 120.194 1.361 . . . . 0.0 114.165 176.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -69.71 -32.97 71.85 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 123.788 0.835 . . . . 0.0 111.229 177.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.59 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 35.7 mtmt -85.33 -39.9 17.14 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.888 1.675 . . . . 0.0 111.761 175.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -51.15 -44.87 61.51 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 126.358 1.863 . . . . 0.0 115.414 -170.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 94.2 mt -60.24 -52.69 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 CA-C-N 117.63 0.196 . . . . 0.0 110.506 177.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.5 -34.05 77.37 Favored 'General case' 0 CA--C 1.535 0.373 0 O-C-N 121.7 -0.625 . . . . 0.0 112.418 177.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.2 m0 -58.56 -34.95 71.61 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 115.248 1.573 . . . . 0.0 115.248 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -89.96 -31.22 17.34 Favored 'General case' 0 N--CA 1.477 0.914 0 CA-C-N 120.299 1.408 . . . . 0.0 113.999 169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -64.84 -34.09 77.54 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 120.582 1.537 . . . . 0.0 112.003 175.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.5 m -50.82 -38.81 50.98 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.176 1.39 . . . . 0.0 112.234 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 23.4 mm -70.17 -47.95 64.62 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.881 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 88.1 mt -72.5 -17.75 61.72 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 115.071 1.508 . . . . 0.0 115.071 -164.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.63 -4.31 0.04 OUTLIER Glycine 0 CA--C 1.537 1.455 0 N-CA-C 115.99 1.156 . . . . 0.0 115.99 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.278 0 O-C-N 120.36 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.046 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -55.16 -27.4 45.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.046 1.339 . . . . 0.0 113.976 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -52.71 -41.99 64.45 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 124.945 1.298 . . . . 0.0 112.59 173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 85.0 mt -67.49 -40.75 85.25 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 123.911 0.884 . . . . 0.0 111.39 -174.385 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 61.9 ttt180 -58.1 -48.99 78.48 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.327 0.651 . . . . 0.0 110.975 168.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 38.1 tp10 -62.46 -37.12 84.68 Favored 'General case' 0 CA--C 1.544 0.738 0 N-CA-C 112.527 0.565 . . . . 0.0 112.527 -178.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.463 HD23 HD13 ' B' ' 43' ' ' LEU . 4.0 mp -63.44 -59.9 4.07 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 127.19 2.196 . . . . 0.0 112.474 173.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . 0.51 HD12 HD11 ' B' ' 43' ' ' LEU . 4.1 mp -58.73 -38.42 78.33 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.396 0.887 . . . . 0.0 113.396 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -70.79 40.86 0.06 Allowed 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 126.017 1.727 . . . . 0.0 113.735 176.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.35 -24.03 0.02 OUTLIER Glycine 0 C--N 1.336 0.571 0 N-CA-C 119.432 2.533 . . . . 0.0 119.432 170.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -61.26 -39.39 90.18 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.307 1.054 . . . . 0.0 110.909 173.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -36.88 78.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.777 2.031 . . . . 0.0 112.074 172.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -73.84 -2.25 22.88 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.625 1.97 . . . . 0.0 113.037 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.21 -47.25 1.74 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 124.647 1.117 . . . . 0.0 111.238 162.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 86.8 mt -52.18 -53.92 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 CA-C-N 118.882 1.341 . . . . 0.0 111.933 -173.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 30.7 mtpp -70.71 -32.13 69.23 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.546 0.739 . . . . 0.0 112.854 -173.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.8 mp0 -77.85 -35.87 50.55 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 126.066 1.746 . . . . 0.0 111.75 -178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.1 m-85 -62.2 -33.52 74.71 Favored 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.646 0.609 . . . . 0.0 112.646 174.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 30.4 mtp180 -66.45 -30.22 70.52 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 113.565 0.95 . . . . 0.0 113.565 179.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -77.48 -31.07 53.46 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.893 0.877 . . . . 0.0 113.189 174.511 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.96 -24.34 66.05 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.496 1.518 . . . . 0.0 113.336 -174.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 27.6 tp -62.14 -30.16 70.84 Favored 'General case' 0 N--CA 1.467 0.381 0 O-C-N 121.597 -0.689 . . . . 0.0 112.116 171.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.38 -27.46 68.58 Favored 'General case' 0 N--CA 1.476 0.875 0 CA-C-N 119.553 1.07 . . . . 0.0 113.086 -179.81 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 80.3 m-85 -102.77 5.77 38.99 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 126.422 1.889 . . . . 0.0 114.511 178.195 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.2 p -135.72 -36.05 0.78 Allowed 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 51.17 26.27 2.81 Favored 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 127.404 2.282 . . . . 0.0 115.077 -173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -92.06 147.0 33.87 Favored Pre-proline 0 CA--C 1.548 0.869 0 C-N-CA 125.354 1.462 . . . . 0.0 114.301 -177.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -75.84 -12.6 19.9 Favored 'Trans proline' 0 CA--C 1.539 0.757 0 C-N-CA 123.12 2.547 . . . . 0.0 113.756 178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.08 -33.1 54.62 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.061 0 O-C-N 120.69 -1.256 . . . . 0.0 113.323 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -62.13 -29.01 70.04 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.681 -0.637 . . . . 0.0 111.607 174.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 3.37 6.49 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 125.123 1.369 . . . . 0.0 114.082 171.159 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -110.38 -50.1 2.99 Favored 'General case' 0 C--N 1.344 0.337 0 C-N-CA 126.606 1.962 . . . . 0.0 111.093 160.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 43.3 mt -62.82 -58.55 7.08 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 123.113 0.565 . . . . 0.0 110.73 -172.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.12 -28.46 63.29 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 122.063 -0.398 . . . . 0.0 111.801 178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -33.72 73.38 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 111.494 0.183 . . . . 0.0 111.494 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 40.4 m-20 -78.82 -42.02 28.78 Favored 'General case' 0 N--CA 1.451 -0.398 0 N-CA-C 114.583 1.327 . . . . 0.0 114.583 173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -57.43 -27.33 62.31 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 120.962 1.71 . . . . 0.0 113.234 174.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -65.54 -32.45 74.05 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 123.81 0.844 . . . . 0.0 112.079 178.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 pttt -98.95 -26.14 14.36 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.319 1.448 . . . . 0.0 113.31 178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -54.1 -41.61 68.46 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 126.033 1.733 . . . . 0.0 114.337 175.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.8 mt -59.55 -54.83 29.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.362 0.528 . . . . 0.0 110.671 176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -69.88 -32.17 70.39 Favored 'General case' 0 CA--C 1.535 0.389 0 O-C-N 121.848 -0.533 . . . . 0.0 111.874 -178.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 23.4 m0 -57.58 -48.62 78.87 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 124.704 1.201 . . . . 0.0 113.386 170.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.51 HD11 HD12 ' B' ' 7' ' ' LEU . 0.5 OUTLIER -72.35 -36.5 68.8 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.064 0.847 . . . . 0.0 112.109 179.847 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -75.1 -31.33 61.14 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.792 0.837 . . . . 0.0 112.487 -177.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 21.8 m -55.92 -29.02 59.43 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.882 0.873 . . . . 0.0 113.283 177.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.56 HG21 ' HB ' ' A' ' 24' ' ' THR . 23.2 mt -65.75 -28.23 43.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.822 0 O-C-N 121.257 -0.902 . . . . 0.0 113.177 -172.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 12.8 mt -63.09 -19.46 64.44 Favored 'General case' 0 N--CA 1.479 0.978 0 O-C-N 120.9 -1.125 . . . . 0.0 113.759 171.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.89 -2.49 84.06 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 124.906 1.241 . . . . 0.0 114.402 175.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.279 0 O-C-N 120.361 -1.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.06 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -143.27 -22.52 0.61 Allowed 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.705 1.202 . . . . 0.0 114.153 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -51.68 -34.28 37.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 126.049 1.74 . . . . 0.0 115.052 -175.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -59.12 -48.9 79.9 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 125.25 1.42 . . . . 0.0 111.651 -179.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.0 ttt180 -63.78 -40.07 95.77 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 122.98 0.512 . . . . 0.0 111.275 176.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -60.98 -40.46 93.51 Favored 'General case' 0 CA--C 1.546 0.814 0 CA-C-N 118.349 0.522 . . . . 0.0 111.483 177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 mp -61.97 -58.36 8.2 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 126.422 1.889 . . . . 0.0 112.457 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 65.4 mt -59.87 -42.53 93.93 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 125.372 1.469 . . . . 0.0 113.636 -177.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.4 ttpt -63.83 -17.14 62.83 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.498 1.119 . . . . 0.0 113.153 -177.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.94 -38.86 1.79 Allowed Glycine 0 C--N 1.332 0.35 0 C-N-CA 125.796 1.665 . . . . 0.0 117.239 -175.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -65.24 -25.74 67.81 Favored 'General case' 0 N--CA 1.483 1.188 0 CA-C-N 120.179 1.989 . . . . 0.0 113.786 175.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -27.68 68.21 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-N 119.232 0.924 . . . . 0.0 113.002 176.152 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.48 -17.7 64.95 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 127.015 2.126 . . . . 0.0 112.394 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.9 -37.48 5.19 Favored Glycine 0 C--N 1.34 0.784 0 C-N-CA 124.843 1.211 . . . . 0.0 112.486 177.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 93.4 mt -56.93 -45.99 83.7 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 119.115 1.457 . . . . 0.0 111.112 -175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 19.7 tttp -68.94 -29.49 67.75 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 -177.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -78.08 -37.99 45.31 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 125.382 1.473 . . . . 0.0 112.418 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -61.48 -41.18 96.87 Favored 'General case' 0 C--O 1.232 0.178 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.4 mtp180 -69.14 -16.71 63.71 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 113.332 0.864 . . . . 0.0 113.332 179.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -80.07 -26.22 39.72 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.6 1.56 . . . . 0.0 113.855 171.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.8 -26.27 22.93 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 -160.406 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 21.3 tp -55.58 -26.36 43.32 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 119.659 1.118 . . . . 0.0 112.406 173.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.14 -22.93 53.3 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 114.363 1.245 . . . . 0.0 114.363 174.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -115.8 -30.04 6.22 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 125.316 1.446 . . . . 0.0 112.387 178.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -92.83 -25.8 17.96 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 114.858 1.429 . . . . 0.0 114.858 -176.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 67.9 m-70 40.09 46.52 1.85 Allowed 'General case' 0 N--CA 1.488 1.461 0 C-N-CA 125.77 1.628 . . . . 0.0 113.649 176.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.64 148.3 64.18 Favored Pre-proline 0 CA--C 1.548 0.895 0 C-N-CA 127.055 2.142 . . . . 0.0 112.825 -171.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 85.8 Cg_endo -73.92 -10.23 22.88 Favored 'Trans proline' 0 CA--C 1.539 0.727 0 C-N-CA 123.521 2.814 . . . . 0.0 113.719 179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 t -69.34 -33.91 60.01 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 O-C-N 120.959 -1.088 . . . . 0.0 112.168 -173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 ' H ' HD12 ' A' ' 29' ' ' LEU . 4.3 mp -62.68 -31.83 72.79 Favored 'General case' 0 CA--C 1.539 0.532 0 O-C-N 121.086 -1.009 . . . . 0.0 111.878 174.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.18 1.41 4.79 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.905 1.446 . . . . 0.0 114.905 171.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -115.13 -43.8 3.06 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 126.268 1.827 . . . . 0.0 111.828 164.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 19.7 mt -62.62 -64.02 0.72 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 118.186 0.448 . . . . 0.0 111.336 -174.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -72.08 -21.5 61.5 Favored 'General case' 0 N--CA 1.465 0.299 0 O-C-N 121.841 -0.537 . . . . 0.0 112.015 179.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -60.51 -39.27 87.15 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 117.96 0.345 . . . . 0.0 110.699 171.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.1 m-20 -69.77 -48.13 60.42 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 169.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -58.8 -22.39 58.27 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 114.354 1.242 . . . . 0.0 114.354 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 11.6 tm-20 -68.47 -31.81 71.37 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 118.384 0.538 . . . . 0.0 110.978 178.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -86.98 -40.99 14.26 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 126.141 1.776 . . . . 0.0 111.657 176.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -50.72 -47.85 59.04 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 125.794 1.638 . . . . 0.0 115.154 -171.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.7 mt -61.47 -39.71 83.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 CA-C-N 118.347 0.521 . . . . 0.0 111.361 -178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -75.27 -39.55 59.64 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.047 0.385 . . . . 0.0 111.438 173.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.9 m0 -53.42 -36.75 61.85 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.302 1.441 . . . . 0.0 114.547 175.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -89.99 1.69 56.0 Favored 'General case' 0 N--CA 1.486 1.362 0 C-N-CA 125.639 1.575 . . . . 0.0 114.525 173.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -104.68 -42.37 5.42 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.795 1.638 . . . . 0.0 111.589 175.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.1 m -47.37 -37.3 10.95 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 125.014 1.326 . . . . 0.0 112.459 171.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 2.0 mt -62.61 -36.22 74.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 125.213 1.405 . . . . 0.0 113.186 -179.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.73 -28.19 68.22 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.87 26.48 0.02 OUTLIER Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.506 1.051 . . . . 0.0 115.188 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.345 0 O-C-N 120.285 -1.715 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.111 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -55.41 -30.0 59.6 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.175 0.99 . . . . 0.0 113.329 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -55.62 -36.91 67.5 Favored 'General case' 0 C--O 1.221 -0.409 0 C-N-CA 124.692 1.197 . . . . 0.0 113.451 175.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 64.1 mt -58.29 -32.19 68.19 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.223 1.809 . . . . 0.0 112.207 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -81.53 -41.67 21.31 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.569 1.148 . . . . 0.0 111.809 173.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -62.05 -32.29 72.79 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 121.337 0.589 . . . . 0.0 111.979 176.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -50.92 -59.54 4.02 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 129.224 3.01 . . . . 0.0 112.983 168.5 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -27.74 51.48 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 113.523 0.934 . . . . 0.0 113.523 -170.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.4 mtmt -71.33 70.36 0.59 Allowed 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.427 1.491 . . . . 0.0 113.972 -177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.23 -5.02 0.1 Allowed Glycine 0 C--N 1.335 0.517 0 N-CA-C 118.541 2.176 . . . . 0.0 118.541 160.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -57.45 -34.04 68.57 Favored 'General case' 0 CA--C 1.554 1.106 0 O-C-N 121.685 -0.891 . . . . 0.0 112.397 177.177 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.95 -24.35 61.59 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 127.859 2.463 . . . . 0.0 115.972 171.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -63.35 -35.6 80.94 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-O 121.162 0.506 . . . . 0.0 109.65 166.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.08 -52.33 33.16 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.982 1.277 . . . . 0.0 111.794 172.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 87.4 mt -48.77 -47.91 15.71 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.329 1.064 . . . . 0.0 111.453 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 90.1 mttt -66.3 -33.95 76.88 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 113.651 0.982 . . . . 0.0 113.651 -177.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -82.38 -32.83 29.01 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.257 1.023 . . . . 0.0 113.063 -179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -60.1 -36.61 77.8 Favored 'General case' 0 C--O 1.234 0.264 0 C-N-CA 123.693 0.797 . . . . 0.0 112.545 171.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -64.34 -36.43 84.11 Favored 'General case' 0 CA--C 1.538 0.493 0 N-CA-C 112.56 0.578 . . . . 0.0 112.56 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -71.87 -37.0 70.28 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.27 1.028 . . . . 0.0 112.856 172.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.06 -37.17 86.7 Favored 'General case' 0 CA--C 1.547 0.843 0 O-C-N 121.413 -0.804 . . . . 0.0 112.434 177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.3 tt -68.17 -32.26 72.4 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 119.32 0.964 . . . . 0.0 112.857 171.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -61.59 -29.75 70.24 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 120.057 1.299 . . . . 0.0 112.393 169.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -30.08 46.76 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 115.539 1.681 . . . . 0.0 115.539 176.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 48.8 p -125.33 -18.49 5.33 Favored 'General case' 0 N--CA 1.485 1.291 0 N-CA-C 115.522 1.675 . . . . 0.0 115.522 -170.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 48.11 33.05 3.29 Favored 'General case' 0 CA--C 1.556 1.194 0 C-N-CA 128.047 2.539 . . . . 0.0 115.513 -175.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -94.51 143.61 26.56 Favored Pre-proline 0 CA--C 1.551 0.987 0 C-N-CA 124.634 1.174 . . . . 0.0 113.435 -176.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_endo -70.69 -18.14 32.86 Favored 'Trans proline' 0 C--N 1.354 0.844 0 C-N-CA 123.892 3.062 . . . . 0.0 113.227 -176.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -65.64 -40.6 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.545 0 C-N-CA 124.063 0.945 . . . . 0.0 112.455 -179.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -61.83 -34.9 76.78 Favored 'General case' 0 N--CA 1.463 0.215 0 O-C-N 121.569 -0.707 . . . . 0.0 112.101 173.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.54 -48.57 81.19 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 118.23 -0.891 . . . . 0.0 111.218 175.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 16.3 mttp -58.69 -42.38 88.43 Favored 'General case' 0 N--CA 1.481 1.104 0 CA-C-N 120.242 1.383 . . . . 0.0 113.334 171.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 62.1 mt -59.15 -62.89 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -67.04 -24.42 65.99 Favored 'General case' 0 N--CA 1.464 0.256 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -64.36 -38.17 90.1 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 118.374 0.534 . . . . 0.0 111.547 171.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.459 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 70.5 m-20 -74.96 -45.47 42.07 Favored 'General case' 0 CA--C 1.532 0.283 0 N-CA-C 113.958 1.096 . . . . 0.0 113.958 176.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -56.75 -25.69 55.59 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 119.737 1.153 . . . . 0.0 112.893 177.297 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.36 -29.9 69.56 Favored 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.614 0.766 . . . . 0.0 111.219 179.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.459 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 27.2 mtmt -85.82 -44.46 12.44 Favored 'General case' 0 N--CA 1.467 0.405 0 C-N-CA 125.622 1.569 . . . . 0.0 111.478 174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.9 m170 -46.98 -49.46 20.75 Favored 'General case' 0 CA--C 1.531 0.228 0 C-N-CA 126.36 1.864 . . . . 0.0 115.088 -170.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 7.0 mt -59.56 -43.28 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 CA-C-N 118.436 0.562 . . . . 0.0 111.576 -177.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -77.93 -36.3 49.48 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.917 175.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.28 -45.86 62.25 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 124.58 1.152 . . . . 0.0 112.766 170.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -83.59 -3.25 57.53 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 114.515 1.302 . . . . 0.0 114.515 177.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -97.4 -33.9 11.24 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.327 1.051 . . . . 0.0 112.458 172.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -57.3 -30.44 64.75 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 125.229 1.411 . . . . 0.0 112.73 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 63.0 mt -51.13 -39.22 19.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.195 1.398 . . . . 0.0 111.589 172.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 24.4 mt -76.05 -15.45 60.12 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.128 1.371 . . . . 0.0 113.393 -174.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.35 -2.75 41.24 Favored Glycine 0 CA--C 1.537 1.438 0 C-N-CA 125.567 1.556 . . . . 0.0 114.3 178.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 O-C-N 120.51 -1.582 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -143.27 -32.27 0.47 Allowed 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.13 0.972 . . . . 0.0 113.338 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -54.7 -36.33 64.56 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.817 1.247 . . . . 0.0 113.515 179.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.3 mt -63.68 -49.76 71.91 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 124.615 1.166 . . . . 0.0 111.742 177.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 47.5 ttt180 -62.1 -37.5 85.31 Favored 'General case' 0 C--O 1.22 -0.466 0 CA-C-O 118.039 -0.981 . . . . 0.0 111.234 174.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -63.88 -38.44 91.09 Favored 'General case' 0 CA--C 1.547 0.833 0 CA-C-N 119.95 1.25 . . . . 0.0 113.061 173.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -64.71 -57.64 8.45 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.161 1.785 . . . . 0.0 112.236 175.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.96 -42.17 97.76 Favored 'General case' 0 CA--C 1.535 0.378 0 C-N-CA 124.624 1.169 . . . . 0.0 113.614 175.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -68.6 63.69 0.11 Allowed 'General case' 0 N--CA 1.474 0.753 0 CA-C-O 122.94 1.353 . . . . 0.0 113.718 169.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.18 -29.19 0.18 Allowed Glycine 0 N--CA 1.451 -0.303 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 166.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -61.49 -34.87 76.21 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 118.072 0.936 . . . . 0.0 111.376 174.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -65.56 -30.44 71.18 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 176.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -66.94 -22.84 65.92 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.325 1.45 . . . . 0.0 112.05 178.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.64 -40.08 10.09 Favored Glycine 0 C--N 1.341 0.809 0 CA-C-O 118.989 -0.895 . . . . 0.0 111.894 175.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.7 mm -55.03 -46.24 77.13 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.139 0 CA-C-N 118.571 1.185 . . . . 0.0 111.261 -178.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 57.8 mtpt -72.07 -24.89 61.58 Favored 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 113.833 1.049 . . . . 0.0 113.833 -177.223 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 42.1 mt-30 -82.42 -38.9 23.38 Favored 'General case' 0 CA--C 1.534 0.339 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 177.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' HB3' HD22 ' A' ' 33' ' ' LEU . 25.0 m-85 -60.4 -36.69 78.72 Favored 'General case' 0 C--O 1.235 0.294 0 C-N-CA 123.669 0.788 . . . . 0.0 112.887 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.0 -29.75 70.18 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -70.48 -35.53 73.33 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.233 1.013 . . . . 0.0 112.925 173.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.78 -49.49 62.12 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 117.91 -1.043 . . . . 0.0 112.683 -172.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -50.42 -34.32 24.08 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.767 1.167 . . . . 0.0 111.673 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -58.7 -30.18 67.21 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 176.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -96.26 -8.8 31.88 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.227 1.011 . . . . 0.0 113.346 179.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 45.7 m -142.5 -29.07 0.58 Allowed 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 113.12 0.785 . . . . 0.0 113.12 -142.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 76.8 m-70 37.52 37.81 0.12 Allowed 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 129.083 2.953 . . . . 0.0 116.587 167.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.7 m-20 -104.84 147.8 35.05 Favored Pre-proline 0 CA--C 1.546 0.79 0 C-N-CA 124.345 1.058 . . . . 0.0 112.505 -175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.0 Cg_endo -68.66 -8.24 22.72 Favored 'Trans proline' 0 C--N 1.352 0.735 0 C-N-CA 123.994 3.129 . . . . 0.0 113.565 -177.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.4 p -66.95 -39.0 82.49 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.329 0 C-N-CA 124.471 1.108 . . . . 0.0 111.81 -179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.1 mt -69.35 -34.76 75.08 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 124.146 0.978 . . . . 0.0 110.874 -178.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.18 9.4 0.32 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.285 1.834 . . . . 0.0 114.414 168.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -128.46 -44.33 1.39 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 126.669 1.988 . . . . 0.0 111.924 170.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 21.5 mt -66.3 -64.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 123.124 0.57 . . . . 0.0 111.297 -177.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -72.27 -23.49 61.2 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 118.384 0.538 . . . . 0.0 110.277 -178.212 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -59.51 -39.96 85.56 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.827 0.851 . . . . 0.0 110.704 172.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -73.93 -42.82 60.03 Favored 'General case' 0 C--N 1.34 0.163 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 170.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -56.8 -24.44 50.65 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 120.334 1.425 . . . . 0.0 113.034 175.526 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 20.0 tt0 -69.05 -29.87 68.09 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.814 0.845 . . . . 0.0 111.529 176.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 5.4 mppt? -81.67 -38.52 25.76 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.326 1.05 . . . . 0.0 113.585 166.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -57.48 -39.82 77.26 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 120.023 1.283 . . . . 0.0 114.073 -167.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 45.5 mt -67.75 -45.5 84.38 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 CA-C-N 118.177 0.444 . . . . 0.0 111.031 176.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -34.91 78.74 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-N 119.022 0.828 . . . . 0.0 112.793 173.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -62.96 -44.71 95.32 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 127.03 2.132 . . . . 0.0 116.167 178.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.4 pp -76.4 -14.88 60.05 Favored 'General case' 0 N--CA 1.478 0.94 0 CA-C-N 120.972 1.714 . . . . 0.0 114.655 174.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -93.74 -34.79 13.08 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.625 1.17 . . . . 0.0 113.42 175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 22.7 m -52.29 -36.2 52.32 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.274 1.43 . . . . 0.0 112.296 175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 4.1 mt -55.11 -40.08 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 125.889 1.676 . . . . 0.0 112.437 175.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 42.1 mt -71.83 -21.98 61.61 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.662 1.185 . . . . 0.0 113.677 -172.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 98.35 -5.83 61.01 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 125.293 1.425 . . . . 0.0 114.448 -176.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 O-C-N 120.583 -1.539 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.115 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -56.48 -28.01 58.61 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.812 1.245 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -54.22 -37.31 64.45 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.524 1.13 . . . . 0.0 113.321 174.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.5 mt -63.95 -44.96 91.22 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.54 1.136 . . . . 0.0 111.498 178.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -45.87 90.12 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.044 0.938 . . . . 0.0 110.515 173.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 72.3 tt0 -63.97 -38.54 91.46 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.729 0.64 . . . . 0.0 112.729 179.002 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.3 mp -59.89 -59.63 5.12 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.515 1.926 . . . . 0.0 112.297 171.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -24.86 57.89 Favored 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.289 1.435 . . . . 0.0 114.733 179.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -115.73 71.14 0.77 Allowed 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.012 1.725 . . . . 0.0 109.9 -167.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.14 -33.14 0.51 Allowed Glycine 0 CA--C 1.519 0.343 0 N-CA-C 116.279 1.272 . . . . 0.0 116.279 -172.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -55.59 -30.61 61.17 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 118.136 0.968 . . . . 0.0 112.246 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -94.61 -13.71 25.66 Favored 'General case' 0 C--N 1.341 0.227 0 C-N-CA 126.725 2.01 . . . . 0.0 115.511 176.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -64.81 -11.67 39.62 Favored 'General case' 0 CA--C 1.55 0.981 0 C-N-CA 123.059 0.544 . . . . 0.0 111.041 153.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.58 -51.08 1.59 Allowed Glycine 0 CA--C 1.539 1.581 0 C-N-CA 125.554 1.549 . . . . 0.0 113.847 162.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 67.0 mt -49.0 -48.82 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-N 119.824 1.812 . . . . 0.0 111.383 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 14.6 tttp -68.73 -37.37 79.4 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 124.065 0.946 . . . . 0.0 113.085 -176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -72.93 -35.39 67.02 Favored 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 125.802 1.641 . . . . 0.0 112.586 -179.585 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -60.03 -30.23 69.04 Favored 'General case' 0 C--O 1.234 0.268 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 173.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -72.08 -19.22 61.85 Favored 'General case' 0 CA--C 1.542 0.647 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.75 -33.28 31.09 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.209 1.003 . . . . 0.0 112.242 164.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.02 -41.59 95.15 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 118.425 -0.797 . . . . 0.0 112.924 -174.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -58.14 -29.08 65.28 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 120.06 1.3 . . . . 0.0 112.748 173.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.12 -27.08 67.77 Favored 'General case' 0 CA--C 1.542 0.636 0 O-C-N 121.056 -1.028 . . . . 0.0 113.309 175.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -83.21 -51.58 7.35 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.443 1.097 . . . . 0.0 113.427 166.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 30.2 p -78.07 -27.31 48.58 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 113.865 1.061 . . . . 0.0 113.865 -169.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.277 11.0 m-70 40.43 26.89 0.03 OUTLIER 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 127.955 2.502 . . . . 0.0 115.537 -164.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -93.46 153.84 41.34 Favored Pre-proline 0 CA--C 1.549 0.916 0 O-C-N 120.921 -1.112 . . . . 0.0 113.54 -168.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -70.9 -14.71 32.65 Favored 'Trans proline' 0 C--N 1.353 0.787 0 C-N-CA 123.595 2.864 . . . . 0.0 113.009 171.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -38.93 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 C-N-CA 123.991 0.916 . . . . 0.0 111.861 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -57.79 -35.07 70.32 Favored 'General case' 0 CA--C 1.543 0.696 0 O-C-N 121.351 -0.843 . . . . 0.0 111.91 172.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.02 5.12 4.55 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 115.158 1.54 . . . . 0.0 115.158 173.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -116.76 -41.72 3.03 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.418 1.487 . . . . 0.0 112.566 166.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.1 mt -61.64 -66.13 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 C-N-CA 122.846 0.458 . . . . 0.0 110.105 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -67.12 -26.37 66.66 Favored 'General case' 0 CA--C 1.531 0.235 0 N-CA-C 111.813 0.301 . . . . 0.0 111.813 -178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -63.24 -35.78 81.49 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 174.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.0 m-20 -78.24 -42.1 32.2 Favored 'General case' 0 CA--C 1.532 0.285 0 N-CA-C 113.764 1.024 . . . . 0.0 113.764 173.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.25 -24.4 54.47 Favored 'General case' 0 CA--C 1.547 0.829 0 O-C-N 120.931 -1.106 . . . . 0.0 112.299 174.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -68.84 -32.29 71.87 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.073 0.949 . . . . 0.0 112.654 177.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.2 pttt -97.25 -25.84 15.13 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.46 1.504 . . . . 0.0 113.358 179.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 13.9 m170 -54.38 -47.91 72.14 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 126.12 1.768 . . . . 0.0 115.026 177.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 75.7 mt -63.53 -39.92 87.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 CA-C-N 118.419 0.554 . . . . 0.0 111.425 -176.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -74.5 -37.03 63.23 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 121.486 -0.759 . . . . 0.0 112.434 172.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.8 m0 -51.59 -51.19 57.56 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 123.705 0.802 . . . . 0.0 112.96 171.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -76.75 -1.58 28.72 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 178.037 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -107.63 -38.26 5.94 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.24 1.016 . . . . 0.0 112.957 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 18.5 m -55.58 -33.84 64.25 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.692 1.133 . . . . 0.0 113.335 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 24.8 mm -62.62 -34.34 64.67 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.587 1.155 . . . . 0.0 112.714 177.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 55.4 mt -69.27 -16.22 63.53 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.809 1.243 . . . . 0.0 113.508 -172.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -104.89 6.26 43.62 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 125.566 1.555 . . . . 0.0 114.144 175.084 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.447 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.036 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -143.13 -22.99 0.62 Allowed 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.594 1.157 . . . . 0.0 114.035 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -50.99 -38.13 49.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.917 1.287 . . . . 0.0 112.792 177.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 62.4 mt -61.91 -45.27 94.47 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 125.444 1.498 . . . . 0.0 110.902 -175.293 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 67.4 ttp85 -61.0 -45.11 96.14 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.777 0.831 . . . . 0.0 111.307 172.31 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -61.31 -36.94 81.51 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 112.582 0.586 . . . . 0.0 112.582 177.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mp -62.67 -59.0 5.53 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 127.0 2.12 . . . . 0.0 112.343 173.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -55.38 -40.88 71.9 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.085 0.954 . . . . 0.0 113.144 176.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.5 mmmt -62.37 -7.74 4.88 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.594 1.557 . . . . 0.0 114.585 176.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.15 -39.48 1.38 Allowed Glycine 0 C--N 1.337 0.606 0 N-CA-C 116.831 1.493 . . . . 0.0 116.831 177.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -61.99 -27.89 69.18 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 119.554 1.677 . . . . 0.0 113.647 176.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.75 -19.12 62.07 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 120.139 1.336 . . . . 0.0 113.662 177.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -70.13 -17.33 63.19 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.578 1.951 . . . . 0.0 111.728 178.375 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -102.6 -30.52 5.53 Favored Glycine 0 CA--C 1.529 0.946 0 C-N-CA 124.654 1.121 . . . . 0.0 113.541 -179.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 84.7 mt -55.64 -46.81 79.48 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 CA-C-N 118.956 1.378 . . . . 0.0 111.079 -178.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 ttpt -68.79 -29.66 68.06 Favored 'General case' 0 N--CA 1.47 0.565 0 N-CA-C 113.153 0.797 . . . . 0.0 113.153 -172.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -78.81 -37.53 40.47 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 125.12 1.368 . . . . 0.0 112.594 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.42 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 12.7 m-85 -59.16 -40.09 84.53 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.182 0.808 . . . . 0.0 113.182 173.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.5 ttt180 -64.29 -26.73 68.62 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -77.18 -31.36 55.36 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.483 1.513 . . . . 0.0 113.791 174.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.15 -24.99 40.02 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.669 1.188 . . . . 0.0 113.156 -169.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -52.86 -31.38 39.05 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 124.179 0.992 . . . . 0.0 111.781 172.326 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.14 -24.96 68.13 Favored 'General case' 0 N--CA 1.473 0.721 0 N-CA-C 114.8 1.407 . . . . 0.0 114.8 179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 71.0 m-85 -103.13 0.45 31.87 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.874 1.269 . . . . 0.0 112.838 -179.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.2 p -141.03 -29.98 0.64 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 115.108 1.521 . . . . 0.0 115.108 -164.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 54.8 m-70 31.44 53.22 0.21 Allowed 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 128.401 2.68 . . . . 0.0 114.57 178.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -111.8 154.07 44.18 Favored Pre-proline 0 CA--C 1.549 0.907 0 C-N-CA 125.454 1.502 . . . . 0.0 112.233 -170.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -69.67 -16.82 38.11 Favored 'Trans proline' 0 CA--C 1.539 0.762 0 C-N-CA 122.749 2.3 . . . . 0.0 112.859 173.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -69.66 -36.53 70.91 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.349 0 C-N-CA 124.322 1.049 . . . . 0.0 111.863 -176.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.85 -32.58 74.18 Favored 'General case' 0 CA--C 1.543 0.686 0 O-C-N 120.544 -1.347 . . . . 0.0 111.32 176.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 8.0 1.67 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.812 1.645 . . . . 0.0 114.169 169.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.0 mmtt -114.79 -45.15 3.0 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.042 2.137 . . . . 0.0 110.672 161.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 17.0 mt -66.47 -67.01 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 CA-C-N 118.345 0.52 . . . . 0.0 111.566 -168.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.88 -25.0 63.5 Favored 'General case' 0 N--CA 1.469 0.481 0 O-C-N 121.676 -0.64 . . . . 0.0 111.631 176.582 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -59.87 -28.25 67.38 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 122.858 0.463 . . . . 0.0 111.07 172.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -83.88 -47.36 11.14 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 115.405 1.632 . . . . 0.0 115.405 165.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -58.16 -21.6 47.84 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 120.043 1.292 . . . . 0.0 113.178 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -72.91 -32.52 65.38 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 123.899 0.88 . . . . 0.0 112.034 178.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.2 pttm -94.4 -28.24 15.62 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 125.969 1.708 . . . . 0.0 113.41 178.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.53 -47.59 69.81 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.833 1.653 . . . . 0.0 114.783 178.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.5 mt -62.45 -46.87 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 CA-C-N 118.32 0.509 . . . . 0.0 111.382 -176.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -68.83 -34.25 75.18 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.568 0.581 . . . . 0.0 112.568 174.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 17.5 m0 -52.98 -40.6 63.88 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 171.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.52 -44.13 79.15 Favored 'General case' 0 N--CA 1.487 1.42 0 CA-C-N 120.344 1.429 . . . . 0.0 112.071 171.08 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.26 -38.12 81.42 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.866 1.667 . . . . 0.0 112.804 -174.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.3 m -52.58 -39.8 61.96 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.649 1.179 . . . . 0.0 112.041 171.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.6 mm -69.92 -38.65 76.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 N-CA-C 112.245 0.461 . . . . 0.0 112.245 178.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mt -60.42 -23.01 64.06 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.898 1.679 . . . . 0.0 115.307 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 168.49 -19.95 0.08 OUTLIER Glycine 0 CA--C 1.536 1.349 0 N-CA-C 115.435 0.934 . . . . 0.0 115.435 176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.361 0 O-C-N 120.581 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -55.3 -30.23 59.77 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 124.86 1.264 . . . . 0.0 114.062 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -55.66 -33.63 64.26 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 125.073 1.349 . . . . 0.0 113.909 175.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.17 -47.67 81.69 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.627 1.171 . . . . 0.0 111.422 178.32 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.7 ttt180 -60.05 -42.17 93.88 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.535 0.734 . . . . 0.0 111.281 174.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -64.14 -35.03 79.45 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.32 0.648 . . . . 0.0 112.674 176.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -64.72 -52.87 54.82 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.869 1.667 . . . . 0.0 112.73 172.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 72.9 mt -61.2 -46.77 89.07 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.376 1.471 . . . . 0.0 113.184 -178.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 51.5 tptt -73.71 74.65 1.55 Allowed 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.237 2.215 . . . . 0.0 112.919 -171.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 142.11 1.73 1.27 Allowed Glycine 0 C--N 1.334 0.444 0 N-CA-C 117.713 1.845 . . . . 0.0 117.713 172.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -62.67 -37.9 88.24 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 118.488 1.144 . . . . 0.0 110.077 167.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -59.95 -24.2 64.19 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 128.645 2.778 . . . . 0.0 116.309 163.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -78.82 -1.88 37.01 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 125.375 1.47 . . . . 0.0 111.915 169.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -108.76 -50.15 0.75 Allowed Glycine 0 CA--C 1.535 1.323 0 C-N-CA 126.21 1.862 . . . . 0.0 112.467 163.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 57.0 mt -48.77 -56.01 2.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 120.04 1.92 . . . . 0.0 111.875 -175.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -67.8 -38.49 83.37 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 124.591 1.156 . . . . 0.0 112.335 -176.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -70.72 -36.96 73.47 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 125.977 1.711 . . . . 0.0 112.292 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.7 m-85 -64.08 -36.61 84.58 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 123.781 0.833 . . . . 0.0 112.401 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 67.0 ttt180 -65.86 -37.18 85.48 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 111.768 0.285 . . . . 0.0 111.768 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -66.24 -37.5 85.67 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.4 1.48 . . . . 0.0 112.881 172.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.25 66.93 Favored 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 125.108 1.363 . . . . 0.0 113.788 -176.345 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -65.26 -28.12 69.12 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 120.982 -1.074 . . . . 0.0 112.361 171.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 mt-10 -66.01 -27.31 68.02 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-N 120.081 1.309 . . . . 0.0 113.317 177.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -85.51 -45.92 11.34 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.41 1.084 . . . . 0.0 113.826 169.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.1 p -85.0 -28.87 25.45 Favored 'General case' 0 N--CA 1.486 1.359 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -173.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.8 m-70 52.5 16.11 0.58 Allowed 'General case' 0 CA--C 1.556 1.206 0 C-N-CA 128.216 2.606 . . . . 0.0 115.989 -168.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -86.78 141.0 33.37 Favored Pre-proline 0 N--CA 1.48 1.042 0 O-C-N 120.468 -1.395 . . . . 0.0 113.668 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -70.63 -20.51 30.65 Favored 'Trans proline' 0 C--N 1.354 0.825 0 C-N-CA 123.798 2.998 . . . . 0.0 113.214 -179.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.76 -42.03 94.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.414 1.086 . . . . 0.0 112.321 177.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.6 mp -65.71 -33.07 75.04 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 118.686 0.676 . . . . 0.0 111.887 174.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.85 -41.95 95.28 Favored 'General case' 0 CA--C 1.542 0.651 0 CA-C-O 118.997 -0.525 . . . . 0.0 112.314 171.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -63.73 -37.59 87.92 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 124.6 1.16 . . . . 0.0 113.399 174.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -60.23 -57.22 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 C-N-CA 125.309 1.444 . . . . 0.0 110.184 173.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.77 -26.38 63.31 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.313 0.857 . . . . 0.0 113.313 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -59.06 -42.41 90.26 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 123.206 0.602 . . . . 0.0 110.13 170.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.585 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 61.2 m-20 -74.32 -44.63 51.7 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 114.595 1.331 . . . . 0.0 114.595 176.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 63.4 mm-40 -57.85 -26.44 62.06 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-N 120.866 1.666 . . . . 0.0 113.706 176.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -67.02 -27.88 67.77 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-O 121.102 0.477 . . . . 0.0 110.928 178.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.585 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 15.0 mtmt -85.37 -43.78 13.37 Favored 'General case' 0 C--O 1.223 -0.311 0 C-N-CA 125.506 1.522 . . . . 0.0 111.86 172.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 36.1 m170 -48.97 -43.9 40.34 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.203 1.801 . . . . 0.0 114.998 -169.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -59.84 -53.29 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 118.461 0.573 . . . . 0.0 111.43 176.283 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -69.93 -36.92 75.69 Favored 'General case' 0 CA--C 1.536 0.431 0 O-C-N 121.774 -0.579 . . . . 0.0 111.364 -178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.1 m0 -54.98 -46.75 75.14 Favored 'General case' 0 C--O 1.234 0.269 0 C-N-CA 125.636 1.574 . . . . 0.0 112.927 172.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.55 -30.92 61.93 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 119.485 1.038 . . . . 0.0 112.488 178.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -72.53 -39.41 67.57 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 178.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.8 m -57.99 -18.79 26.15 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 125.148 1.379 . . . . 0.0 113.924 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.9 -38.41 80.01 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.863 0 O-C-N 121.117 -0.99 . . . . 0.0 112.127 175.49 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mp 40.23 36.42 0.33 Allowed 'General case' 0 CA--C 1.556 1.18 0 C-N-CA 126.769 2.027 . . . . 0.0 115.087 -168.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.79 -13.97 5.87 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.392 0.996 . . . . 0.0 115.531 -174.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 120.37 -1.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -148.3 -21.28 0.34 Allowed 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.321 1.23 . . . . 0.0 114.321 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -57.58 -43.28 84.45 Favored 'General case' 0 CA--C 1.502 -0.896 0 O-C-N 121.153 -0.967 . . . . 0.0 111.858 -177.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 47.3 mt -56.2 -47.51 78.22 Favored 'General case' 0 C--O 1.224 -0.247 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 -166.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 71.4 ttp85 -58.96 -50.19 75.01 Favored 'General case' 0 N--CA 1.471 0.605 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 169.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -58.78 -30.97 67.97 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 119.554 1.07 . . . . 0.0 113.385 179.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.591 HD21 ' CE1' ' B' ' 17' ' ' TYR . 7.3 tt -88.11 -43.22 11.82 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.575 3.15 . . . . 0.0 110.653 -171.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 38.2 mt -58.2 -48.27 80.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.843 2.057 . . . . 0.0 112.314 164.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -74.65 22.27 0.1 Allowed 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 126.445 1.898 . . . . 0.0 114.979 -173.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -138.69 -17.75 0.56 Allowed Glycine 0 C--N 1.334 0.448 0 N-CA-C 119.013 2.365 . . . . 0.0 119.013 162.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.91 -37.24 76.21 Favored 'General case' 0 N--CA 1.477 0.875 0 CA-C-N 119.639 1.72 . . . . 0.0 113.865 169.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.24 -28.99 69.74 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-N 119.148 0.885 . . . . 0.0 112.889 -174.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 19.4 tt0 -66.22 -19.49 65.84 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.214 2.205 . . . . 0.0 112.385 177.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.92 -41.73 6.23 Favored Glycine 0 CA--C 1.528 0.899 0 CA-C-O 119.314 -0.715 . . . . 0.0 111.987 170.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.2 mt -53.91 -48.98 62.28 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 118.389 1.094 . . . . 0.0 111.365 -175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 27.7 mtpt -71.96 -21.75 61.55 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -83.54 -37.39 23.08 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 123.948 0.899 . . . . 0.0 112.669 175.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -58.0 -39.05 77.29 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.434 0.694 . . . . 0.0 112.757 176.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -65.48 -25.84 67.67 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.65 -25.9 57.24 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.69 1.596 . . . . 0.0 112.874 172.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.49 -23.42 27.78 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-O 117.934 -1.031 . . . . 0.0 113.36 -168.436 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 29.8 tp -56.5 -33.51 66.07 Favored 'General case' 0 N--CA 1.48 1.07 0 CA-C-N 120.752 1.614 . . . . 0.0 111.554 171.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -60.98 -16.05 38.61 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 178.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -118.68 -1.2 11.16 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 129.426 3.09 . . . . 0.0 111.899 -176.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.4 p -138.61 -26.48 0.88 Allowed 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 116.263 1.949 . . . . 0.0 116.263 -172.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 75.3 m-70 41.14 47.08 2.74 Favored 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 126.447 1.899 . . . . 0.0 114.79 173.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -127.59 155.35 77.11 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.708 1.603 . . . . 0.0 114.202 -169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -74.17 -10.56 22.71 Favored 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 124.024 3.15 . . . . 0.0 113.714 177.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.59 -34.91 63.7 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 C-N-CA 124.24 1.016 . . . . 0.0 111.441 -175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mp -65.23 -34.27 77.96 Favored 'General case' 0 CA--C 1.541 0.611 0 O-C-N 120.77 -1.206 . . . . 0.0 111.473 176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.48 5.49 1.35 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 125.323 1.449 . . . . 0.0 114.381 170.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt -117.97 -48.05 2.57 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.099 2.159 . . . . 0.0 111.074 169.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.7 mt -65.79 -70.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 C-N-CA 123.054 0.542 . . . . 0.0 110.826 -175.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.05 -25.67 67.15 Favored 'General case' 0 C--O 1.224 -0.254 0 O-C-N 122.121 -0.362 . . . . 0.0 111.573 -178.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -62.47 -38.02 88.22 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 111.768 0.284 . . . . 0.0 111.768 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.1 m-20 -68.73 -48.79 62.9 Favored 'General case' 0 C--O 1.233 0.225 0 O-C-N 121.583 -0.698 . . . . 0.0 112.739 167.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -58.37 -24.14 59.01 Favored 'General case' 0 CA--C 1.532 0.284 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -67.54 -25.43 65.82 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-O 121.713 0.768 . . . . 0.0 111.156 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -102.74 -41.06 6.33 Favored 'General case' 0 CA--C 1.51 -0.564 0 C-N-CA 126.803 2.041 . . . . 0.0 111.472 -177.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -43.83 -53.11 6.26 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 126.379 1.872 . . . . 0.0 114.49 -173.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 31.6 mt -57.87 -50.7 76.88 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.641 0 CA-C-N 118.384 0.538 . . . . 0.0 110.943 -176.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -66.44 -35.36 80.11 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 173.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.4 m0 -54.86 -31.6 59.78 Favored 'General case' 0 CA--C 1.553 1.091 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 174.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.89 31.6 3.51 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.427 1.921 . . . . 0.0 115.628 176.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.47 -46.79 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 130.957 3.703 . . . . 0.0 111.456 -162.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.0 m -56.63 -34.73 67.55 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.14 0.976 . . . . 0.0 111.492 170.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.7 mm -56.47 -51.54 63.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.063 0 C-N-CA 127.258 2.223 . . . . 0.0 113.062 168.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 17.3 mt -66.16 -35.16 79.74 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.791 1.237 . . . . 0.0 113.352 -154.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 178.83 168.64 38.32 Favored Glycine 0 CA--C 1.531 1.067 0 C-N-CA 124.506 1.051 . . . . 0.0 112.758 175.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.443 0 O-C-N 121.212 -1.169 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.058 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -57.73 -26.53 61.94 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.492 1.117 . . . . 0.0 113.843 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 22.0 p90 -54.91 -35.78 64.51 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.067 1.347 . . . . 0.0 113.658 176.592 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.0 mt -58.6 -54.75 43.55 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.628 1.171 . . . . 0.0 110.319 177.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 24.4 ttt85 -61.52 -39.56 91.44 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 119.042 -0.504 . . . . 0.0 111.489 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -61.49 -34.75 76.03 Favored 'General case' 0 CA--C 1.548 0.901 0 N-CA-C 112.932 0.715 . . . . 0.0 112.932 173.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.87 -54.57 17.84 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.786 1.635 . . . . 0.0 112.771 174.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mp -60.64 -43.79 97.14 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.016 0.926 . . . . 0.0 113.122 178.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 28.1 mmmt -74.58 48.14 0.34 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 126.371 1.868 . . . . 0.0 113.285 -176.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -167.06 -31.48 0.02 OUTLIER Glycine 0 C--N 1.334 0.421 0 N-CA-C 117.528 1.771 . . . . 0.0 117.528 170.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -59.85 -36.29 76.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.659 0.729 . . . . 0.0 112.651 171.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -36.89 80.75 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 124.836 1.254 . . . . 0.0 111.222 179.114 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -17.66 64.72 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 125.497 1.519 . . . . 0.0 112.914 174.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.35 -42.51 4.25 Favored Glycine 0 CA--C 1.531 1.054 0 C-N-CA 125.579 1.562 . . . . 0.0 112.259 171.064 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.5 mt -50.85 -53.68 12.85 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-N 119.219 1.51 . . . . 0.0 110.256 179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 15.0 mttt -68.48 -29.0 67.52 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 124.17 0.988 . . . . 0.0 113.41 -177.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -74.57 -36.8 63.06 Favored 'General case' 0 C--O 1.233 0.213 0 C-N-CA 124.86 1.264 . . . . 0.0 112.879 178.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.591 ' CE1' HD21 ' A' ' 6' ' ' LEU . 13.3 m-85 -57.75 -33.15 68.17 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 113.351 0.871 . . . . 0.0 113.351 175.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -74.3 -21.73 59.59 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 114.375 1.25 . . . . 0.0 114.375 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.69 -35.1 30.23 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 119.484 1.038 . . . . 0.0 111.717 165.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.43 -33.49 75.82 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.595 -0.691 . . . . 0.0 112.726 -172.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.3 tt -68.7 -29.3 67.7 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.459 1.027 . . . . 0.0 112.719 172.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.94 -27.99 67.25 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 119.553 1.07 . . . . 0.0 112.763 174.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -84.97 -59.51 2.32 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.023 1.329 . . . . 0.0 113.877 166.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 35.6 p -75.95 -29.21 58.24 Favored 'General case' 0 N--CA 1.482 1.166 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -167.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 49.25 46.07 23.11 Favored 'General case' 0 CA--C 1.56 1.338 0 C-N-CA 126.58 1.952 . . . . 0.0 115.256 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -126.71 146.17 56.08 Favored Pre-proline 0 N--CA 1.483 1.203 0 O-C-N 120.632 -1.293 . . . . 0.0 113.986 -175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -66.53 -20.78 53.67 Favored 'Trans proline' 0 C--N 1.358 1.058 0 C-N-CA 124.531 3.488 . . . . 0.0 113.366 -176.636 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.8 p -63.44 -42.96 98.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 C-N-CA 123.818 0.847 . . . . 0.0 112.379 178.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.68 -35.7 81.52 Favored 'General case' 0 C--N 1.341 0.197 0 C-N-CA 123.192 0.597 . . . . 0.0 111.063 174.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.35 -47.85 83.84 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 118.503 0.592 . . . . 0.0 111.449 172.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -64.79 -43.37 93.4 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 119.48 1.037 . . . . 0.0 113.044 176.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 10.3 mt -57.78 -61.46 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 C-N-CA 125.386 1.474 . . . . 0.0 109.142 176.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.422 ' HB3' ' HB3' ' B' ' 17' ' ' TYR . 0.4 OUTLIER -64.99 -30.2 71.17 Favored 'General case' 0 CA--C 1.52 -0.195 0 N-CA-C 112.79 0.663 . . . . 0.0 112.79 -176.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -64.29 -42.31 96.45 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-O 118.748 -0.644 . . . . 0.0 110.851 172.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 m-20 -68.6 -45.1 72.86 Favored 'General case' 0 CA--C 1.536 0.43 0 CA-C-N 119.439 1.018 . . . . 0.0 113.629 177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 30.2 mm-40 -56.11 -26.89 51.74 Favored 'General case' 0 N--CA 1.469 0.519 0 O-C-N 121.017 -1.052 . . . . 0.0 112.708 175.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -64.21 -26.82 68.68 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.048 0.539 . . . . 0.0 111.382 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.06 -43.2 10.07 Favored 'General case' 0 CA--C 1.516 -0.365 0 C-N-CA 124.418 1.087 . . . . 0.0 112.41 173.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.5 m170 -43.39 -49.37 7.04 Favored 'General case' 0 CA--C 1.527 0.092 0 C-N-CA 126.253 1.821 . . . . 0.0 114.833 -167.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.5 mt -61.61 -42.57 94.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -79.26 -31.96 43.58 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.674 -0.641 . . . . 0.0 112.213 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.8 m0 -52.73 -54.53 32.56 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.558 1.543 . . . . 0.0 111.314 167.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.38 -22.31 62.77 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 114.546 1.313 . . . . 0.0 114.546 179.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.54 -38.46 40.45 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.379 -0.825 . . . . 0.0 113.086 172.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 80.3 m -57.69 -22.84 48.43 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.46 1.504 . . . . 0.0 113.023 -177.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 21.2 mt -61.85 -37.3 77.83 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.892 1.277 . . . . 0.0 112.516 175.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER 41.04 47.92 2.78 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.845 1.658 . . . . 0.0 113.506 -170.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -102.42 -167.23 26.6 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.562 1.553 . . . . 0.0 114.098 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 120.675 -1.485 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -137.73 -23.15 1.07 Allowed 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.89 1.276 . . . . 0.0 113.781 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -50.83 -34.02 26.09 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 125.979 1.712 . . . . 0.0 115.216 -175.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -61.34 -45.34 94.84 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.585 1.154 . . . . 0.0 112.864 -178.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.4 ttp180 -58.99 -40.99 86.56 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.223 0.609 . . . . 0.0 110.784 172.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.97 -20.81 55.64 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.079 0.952 . . . . 0.0 113.083 -177.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -76.95 -52.77 8.8 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 126.527 1.931 . . . . 0.0 111.206 170.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.2 mt -52.69 -54.23 36.5 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 125.288 1.435 . . . . 0.0 110.671 174.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 tmtt? 50.22 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.205 1 C-N-CA 131.774 4.03 . . . . 0.0 117.022 -179.323 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 169.15 9.61 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 126.198 1.856 . . . . 0.0 116.253 -169.061 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -52.53 -36.81 56.29 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 119.472 1.636 . . . . 0.0 114.126 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 tp -67.52 -36.06 80.31 Favored 'General case' 0 CA--C 1.54 0.593 0 O-C-N 120.916 -1.115 . . . . 0.0 110.834 178.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -66.9 -12.34 59.04 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.656 1.982 . . . . 0.0 112.454 176.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.96 -42.2 3.86 Favored Glycine 0 CA--C 1.531 1.094 0 C-N-CA 125.391 1.472 . . . . 0.0 112.377 170.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.0 mt -51.34 -52.52 19.31 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 CA-C-N 119.131 1.465 . . . . 0.0 111.116 -178.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tttm -71.26 -24.09 62.1 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 -173.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -81.45 -37.57 27.81 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 124.594 1.158 . . . . 0.0 113.006 176.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 -59.33 -38.25 79.87 Favored 'General case' 0 C--O 1.233 0.222 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 175.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -25.05 67.96 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.0 0.52 . . . . 0.0 112.116 179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -79.75 -28.5 40.42 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.6 1.56 . . . . 0.0 113.651 177.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.69 -29.97 45.81 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -168.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -57.78 -25.47 60.56 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 123.87 0.868 . . . . 0.0 112.512 175.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.0 mt-10 -62.1 -26.47 68.31 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 114.221 1.193 . . . . 0.0 114.221 173.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -105.47 -15.79 14.91 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.11 1.364 . . . . 0.0 113.648 -179.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.6 p -116.04 -32.17 5.47 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.082 1.141 . . . . 0.0 114.082 -175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 47.11 44.75 15.62 Favored 'General case' 0 CA--C 1.549 0.918 0 C-N-CA 125.869 1.668 . . . . 0.0 113.909 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -112.36 151.14 43.54 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 124.994 1.317 . . . . 0.0 112.664 -176.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -74.81 -4.38 15.32 Favored 'Trans proline' 0 C--N 1.354 0.823 0 C-N-CA 123.85 3.034 . . . . 0.0 113.574 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.5 t -80.78 -33.51 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 124.216 1.007 . . . . 0.0 111.238 -173.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mp -64.45 -37.16 86.54 Favored 'General case' 0 CA--C 1.538 0.481 0 O-C-N 121.022 -1.049 . . . . 0.0 111.447 175.343 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.52 10.71 0.11 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 126.678 1.991 . . . . 0.0 114.666 169.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -131.72 -41.44 1.05 Allowed 'General case' 0 N--CA 1.466 0.367 0 C-N-CA 127.293 2.237 . . . . 0.0 111.402 174.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 34.9 mt -61.0 -65.7 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 C-N-CA 124.165 0.986 . . . . 0.0 110.74 174.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.85 -22.91 62.26 Favored 'General case' 0 N--CA 1.467 0.394 0 O-C-N 121.999 -0.438 . . . . 0.0 111.717 -178.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.19 -36.92 81.17 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 117.793 0.27 . . . . 0.0 110.947 171.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 78.6 m-20 -70.41 -49.83 44.85 Favored 'General case' 0 C--O 1.233 0.213 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 168.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.3 -24.34 42.59 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 119.175 0.898 . . . . 0.0 113.358 178.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -68.26 -32.63 72.94 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 123.535 0.734 . . . . 0.0 111.419 179.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 40.0 mtmt -88.69 -39.84 13.71 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.232 1.813 . . . . 0.0 111.462 178.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -49.08 -49.83 39.8 Favored 'General case' 0 CA--C 1.53 0.206 0 C-N-CA 126.068 1.747 . . . . 0.0 114.692 -172.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.4 mt -62.0 -38.1 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 CA-C-N 118.054 0.388 . . . . 0.0 111.634 -177.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -76.79 -35.65 57.5 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 172.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -52.9 -44.33 66.85 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.367 1.467 . . . . 0.0 114.149 172.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.46 6.85 13.42 Favored 'General case' 0 N--CA 1.487 1.387 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 172.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -115.98 -36.68 4.06 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.343 1.457 . . . . 0.0 113.331 179.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.2 m -48.26 -30.25 4.6 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 126.594 1.958 . . . . 0.0 112.572 165.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 20.1 mm -50.52 -36.76 14.33 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 126.343 1.857 . . . . 0.0 112.98 169.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.1 pp -143.85 28.11 1.44 Allowed 'General case' 0 CA--C 1.547 0.833 0 C-N-CA 126.377 1.871 . . . . 0.0 114.6 -161.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -160.29 177.88 36.56 Favored Glycine 0 CA--C 1.534 1.261 0 C-N-CA 125.204 1.383 . . . . 0.0 113.445 178.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.796 -1.414 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -55.23 -31.05 61.18 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.835 1.254 . . . . 0.0 114.122 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -55.0 -33.85 62.94 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.005 1.322 . . . . 0.0 113.783 175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 73.9 mt -65.8 -49.17 69.24 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 124.71 1.204 . . . . 0.0 111.984 176.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.78 -39.68 89.75 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.428 1.091 . . . . 0.0 111.511 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -62.59 -34.88 77.9 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.069 0.948 . . . . 0.0 112.171 174.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -66.26 -51.43 57.61 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.46 1.504 . . . . 0.0 113.289 178.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.82 -47.28 84.11 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 112.843 0.682 . . . . 0.0 112.843 178.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -77.46 70.57 3.86 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 125.888 1.675 . . . . 0.0 112.37 -170.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.94 -30.84 0.19 Allowed Glycine 0 CA--C 1.519 0.297 0 N-CA-C 116.305 1.282 . . . . 0.0 116.305 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -56.53 -42.99 79.41 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.26 0.624 . . . . 0.0 110.561 169.486 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.58 -36.91 84.2 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 127.03 2.132 . . . . 0.0 112.159 175.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -65.35 -22.49 66.81 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.144 1.378 . . . . 0.0 112.465 174.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.66 -43.23 5.53 Favored Glycine 0 CA--C 1.531 1.078 0 C-N-CA 124.942 1.258 . . . . 0.0 112.364 171.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 85.9 mt -50.58 -46.18 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 CA-C-N 118.626 1.213 . . . . 0.0 111.438 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 32.2 ttmt -78.49 -31.94 47.99 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 124.419 1.088 . . . . 0.0 112.402 -172.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -65.96 -45.35 82.05 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 125.26 1.424 . . . . 0.0 112.44 171.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.3 m-85 -60.02 -34.82 73.89 Favored 'General case' 0 C--O 1.233 0.185 0 N-CA-C 112.874 0.694 . . . . 0.0 112.874 176.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.12 -26.58 67.51 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 113.118 0.784 . . . . 0.0 113.118 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -84.82 -33.74 22.85 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-O 121.953 0.882 . . . . 0.0 113.034 174.147 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.76 -25.71 67.62 Favored 'General case' 0 CA--C 1.533 0.317 0 C-N-CA 127.251 2.22 . . . . 0.0 114.343 -170.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 16.9 tp -62.74 -23.54 67.24 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-O 118.758 -0.639 . . . . 0.0 112.604 172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.64 -28.64 69.25 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.369 0.986 . . . . 0.0 112.777 176.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -90.37 -50.1 6.15 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.341 1.056 . . . . 0.0 113.009 170.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -81.52 -28.04 34.17 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -168.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 52.2 m-70 43.36 26.57 0.1 Allowed 'General case' 0 CA--C 1.559 1.299 0 C-N-CA 126.937 2.095 . . . . 0.0 115.578 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.33 145.43 30.43 Favored Pre-proline 0 CA--C 1.548 0.898 0 C-N-CA 124.937 1.295 . . . . 0.0 113.361 -170.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -72.27 -13.86 28.29 Favored 'Trans proline' 0 CA--C 1.541 0.851 0 C-N-CA 123.227 2.618 . . . . 0.0 113.291 -179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 8.0 t -63.48 -28.57 45.27 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 125.491 1.516 . . . . 0.0 112.986 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.8 mp -64.75 -28.73 69.78 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 120.714 -1.242 . . . . 0.0 111.59 172.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.52 9.94 1.54 Allowed 'General case' 0 CA--C 1.553 1.07 0 C-N-CA 125.304 1.442 . . . . 0.0 113.993 169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -118.19 -44.71 2.68 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.168 2.187 . . . . 0.0 110.901 162.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.6 mt -62.93 -68.92 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.647 0.779 . . . . 0.0 111.416 -178.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.16 -24.8 64.12 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 118.752 0.705 . . . . 0.0 111.978 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tp10 -57.56 -39.08 75.89 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 122.784 0.434 . . . . 0.0 111.791 171.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.552 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.6 m-20 -80.24 -43.35 21.56 Favored 'General case' 0 C--N 1.34 0.175 0 N-CA-C 114.623 1.342 . . . . 0.0 114.623 176.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 62.8 mm-40 -56.43 -26.35 53.29 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 119.913 1.233 . . . . 0.0 113.144 176.336 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.28 -30.93 71.84 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.301 0.64 . . . . 0.0 111.618 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.552 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.4 mtmt -85.67 -42.78 13.99 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 125.953 1.701 . . . . 0.0 111.44 175.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -49.0 -47.59 44.2 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.531 1.933 . . . . 0.0 115.109 -170.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.17 -46.78 95.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.054 0 CA-C-N 118.175 0.443 . . . . 0.0 111.123 179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -69.92 -38.56 76.28 Favored 'General case' 0 CA--C 1.535 0.403 0 O-C-N 121.726 -0.608 . . . . 0.0 111.49 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -53.34 -44.64 68.64 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 125.65 1.58 . . . . 0.0 114.024 173.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -82.62 -26.47 32.21 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 174.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -73.72 -31.93 63.63 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.706 1.139 . . . . 0.0 112.895 175.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 34.4 m -58.6 -24.27 60.59 Favored 'General case' 0 N--CA 1.48 1.07 0 O-C-N 120.883 -1.136 . . . . 0.0 112.893 173.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 27.7 mm -67.36 -30.25 48.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 121.05 -1.031 . . . . 0.0 112.228 173.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 89.0 mt -86.61 -10.26 54.28 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.788 1.235 . . . . 0.0 114.108 -170.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 175.55 161.34 24.8 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.134 0.874 . . . . 0.0 113.981 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 120.826 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.98 -30.22 0.53 Allowed 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.51 1.124 . . . . 0.0 113.929 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -55.97 -36.88 68.32 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 113.566 0.95 . . . . 0.0 113.566 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.26 -47.04 74.99 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 124.002 0.921 . . . . 0.0 111.629 177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.7 tpm_? -57.05 -45.52 83.15 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.516 0.727 . . . . 0.0 110.368 174.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -62.08 -44.36 96.84 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 176.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.8 mp -59.4 -58.97 6.29 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 126.149 1.779 . . . . 0.0 112.503 176.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.53 -40.15 78.16 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.458 1.103 . . . . 0.0 113.593 177.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -69.63 1.51 4.09 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 124.268 1.027 . . . . 0.0 113.432 175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.31 -32.86 0.25 Allowed Glycine 0 C--N 1.338 0.654 0 N-CA-C 118.976 2.35 . . . . 0.0 118.976 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -62.39 -29.84 70.77 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.981 1.891 . . . . 0.0 112.308 172.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.8 -27.19 68.08 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.692 1.133 . . . . 0.0 113.372 177.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -68.76 -14.3 62.94 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 126.609 1.963 . . . . 0.0 112.328 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.79 -41.03 6.5 Favored Glycine 0 CA--C 1.528 0.875 0 CA-C-O 119.342 -0.699 . . . . 0.0 111.953 171.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.8 mt -58.34 -47.19 88.44 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.1 0 CA-C-N 118.415 1.107 . . . . 0.0 111.3 -173.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 83.4 tttt -66.72 -40.34 88.38 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-O 121.22 0.533 . . . . 0.0 112.198 -175.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -71.98 -35.35 69.48 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 124.747 1.219 . . . . 0.0 112.888 -177.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.2 m-85 -62.74 -34.55 77.44 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 173.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 58.5 mtp85 -67.4 -25.52 65.98 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 112.986 0.735 . . . . 0.0 112.986 178.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -75.95 -30.91 58.83 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.41 1.484 . . . . 0.0 113.28 174.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.03 -24.02 41.06 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.138 1.375 . . . . 0.0 114.132 -169.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.66 -29.22 62.06 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 118.625 0.648 . . . . 0.0 111.242 172.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -62.52 -22.92 66.67 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 115.013 1.486 . . . . 0.0 115.013 178.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.8 m-85 -113.25 6.64 17.49 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.115 1.366 . . . . 0.0 112.147 -175.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.0 p -140.9 -28.54 0.69 Allowed 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 125.062 1.345 . . . . 0.0 114.0 -172.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 29.3 m-70 30.27 54.81 0.16 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 129.303 3.041 . . . . 0.0 114.818 -179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -122.13 151.94 59.4 Favored Pre-proline 0 CA--C 1.545 0.771 0 C-N-CA 124.741 1.216 . . . . 0.0 112.431 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 78.6 Cg_endo -70.28 -10.5 28.27 Favored 'Trans proline' 0 C--N 1.351 0.699 0 C-N-CA 123.599 2.866 . . . . 0.0 113.134 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.429 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -67.91 -36.67 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 C-N-CA 124.11 0.964 . . . . 0.0 112.317 -179.076 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.2 mp -65.45 -31.15 72.08 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 120.885 -1.135 . . . . 0.0 111.725 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.26 9.8 0.92 Allowed 'General case' 0 CA--C 1.555 1.144 0 C-N-CA 125.654 1.582 . . . . 0.0 114.172 166.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 32.8 mtmt -120.39 -42.2 2.57 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 126.866 2.067 . . . . 0.0 112.764 163.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.582 HD11 ' HB3' ' B' ' 42' ' ' TRP . 3.5 mp -60.36 -66.56 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 CA-C-N 119.932 1.242 . . . . 0.0 110.47 178.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.61 -23.53 61.73 Favored 'General case' 0 N--CA 1.467 0.384 0 O-C-N 121.983 -0.448 . . . . 0.0 110.958 -176.134 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.9 tp10 -61.65 -34.39 75.63 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 122.965 0.506 . . . . 0.0 111.565 171.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 78.7 m-20 -76.98 -45.87 25.95 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-N 119.0 0.818 . . . . 0.0 112.941 171.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -54.65 -25.97 30.21 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 119.418 1.008 . . . . 0.0 112.659 175.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -65.67 -33.66 76.41 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 124.594 1.157 . . . . 0.0 111.862 177.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.4 -44.3 16.28 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-O 118.12 -0.943 . . . . 0.0 112.099 170.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.6 m170 -47.38 -45.49 25.17 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 125.756 1.622 . . . . 0.0 114.465 -166.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 52.1 mt -64.12 -41.44 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 123.708 0.803 . . . . 0.0 112.117 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 -75.01 -37.2 61.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 122.988 0.515 . . . . 0.0 111.466 175.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -54.99 -33.63 62.71 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.136 1.774 . . . . 0.0 114.497 174.384 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp -92.9 11.09 28.43 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 115.092 1.515 . . . . 0.0 115.092 171.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.79 -42.18 2.74 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.978 1.711 . . . . 0.0 111.839 179.235 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.0 m -47.38 -37.82 11.99 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.153 1.381 . . . . 0.0 112.574 172.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 24.5 mm -65.77 -35.43 75.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 N-CA-C 114.177 1.177 . . . . 0.0 114.177 178.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -24.38 63.05 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 167.92 -22.43 0.1 Allowed Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.67 1.128 . . . . 0.0 114.764 175.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 0 O-C-N 120.629 -1.512 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -56.07 -29.83 61.09 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.743 1.217 . . . . 0.0 114.211 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -55.37 -35.53 65.37 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.945 1.298 . . . . 0.0 113.493 174.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 61.9 mt -64.29 -46.86 81.78 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.685 1.194 . . . . 0.0 110.972 176.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.9 ttt180 -59.93 -43.82 94.72 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 122.87 0.468 . . . . 0.0 110.691 175.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -62.93 -36.74 84.41 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 112.941 0.719 . . . . 0.0 112.941 176.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -61.51 -57.76 10.86 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.882 1.673 . . . . 0.0 112.508 172.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mp -63.95 -39.32 93.88 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.337 1.055 . . . . 0.0 113.238 -178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mmmt -73.26 48.63 0.24 Allowed 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 126.576 1.951 . . . . 0.0 112.672 177.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -170.31 -36.48 0.03 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 117.446 1.738 . . . . 0.0 117.446 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -56.25 -35.48 67.44 Favored 'General case' 0 CA--C 1.546 0.805 0 CA-C-N 118.116 0.958 . . . . 0.0 111.978 172.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 tp -63.87 -34.01 76.98 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 126.625 1.97 . . . . 0.0 111.794 177.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -20.25 66.35 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.284 1.434 . . . . 0.0 112.108 174.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.19 -43.3 5.35 Favored Glycine 0 CA--C 1.529 0.922 0 C-N-CA 124.792 1.187 . . . . 0.0 112.054 172.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.5 mt -51.02 -50.48 24.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 CA-C-N 118.595 1.197 . . . . 0.0 111.172 -179.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 35.2 mtpt -73.64 -29.93 62.64 Favored 'General case' 0 N--CA 1.471 0.624 0 N-CA-C 114.422 1.268 . . . . 0.0 114.422 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -75.75 -36.34 59.91 Favored 'General case' 0 N--CA 1.464 0.248 0 C-N-CA 124.151 0.98 . . . . 0.0 112.101 178.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -63.41 -31.94 73.23 Favored 'General case' 0 C--O 1.233 0.228 0 N-CA-C 113.297 0.851 . . . . 0.0 113.297 178.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.8 mtt-85 -69.23 -28.47 66.37 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 179.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -78.78 -32.76 46.6 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.745 1.218 . . . . 0.0 113.574 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.63 -32.61 74.13 Favored 'General case' 0 CA--C 1.537 0.459 0 O-C-N 121.263 -0.898 . . . . 0.0 112.327 178.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.57 -24.94 66.99 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 123.872 0.869 . . . . 0.0 112.738 176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -63.71 -28.53 69.96 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 119.321 0.964 . . . . 0.0 113.339 173.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -92.87 -37.32 12.34 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 125.004 1.322 . . . . 0.0 113.139 174.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 26.1 p -95.3 -28.97 14.73 Favored 'General case' 0 N--CA 1.483 1.214 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -173.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 66.9 m-70 42.56 26.74 0.07 Allowed 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 127.207 2.203 . . . . 0.0 115.359 -169.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -87.85 147.37 40.95 Favored Pre-proline 0 CA--C 1.547 0.831 0 O-C-N 121.062 -1.023 . . . . 0.0 113.189 -171.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -70.77 -17.51 32.95 Favored 'Trans proline' 0 C--N 1.353 0.795 0 C-N-CA 123.564 2.842 . . . . 0.0 112.721 175.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.8 t -68.18 -35.99 73.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 C-N-CA 124.6 1.16 . . . . 0.0 112.728 179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 29.4 mt -60.05 -36.44 77.32 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.133 -0.979 . . . . 0.0 111.542 170.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 10.55 0.88 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 125.23 1.412 . . . . 0.0 114.747 170.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.9 mttm -114.25 -46.82 2.96 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 126.116 1.766 . . . . 0.0 111.145 161.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 60.7 mt -59.25 -64.25 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 124.237 1.015 . . . . 0.0 109.724 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -27.55 66.29 Favored 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -59.89 -41.99 92.84 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-O 118.831 -0.604 . . . . 0.0 111.166 171.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.7 m-20 -72.84 -44.31 61.56 Favored 'General case' 0 N--CA 1.463 0.203 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -55.75 -25.32 40.03 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 118.987 0.812 . . . . 0.0 112.258 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -71.93 -20.84 61.7 Favored 'General case' 0 CA--C 1.543 0.706 0 C-N-CA 124.04 0.936 . . . . 0.0 112.509 178.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.79 -43.18 10.23 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.648 1.179 . . . . 0.0 112.683 166.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -46.5 -46.06 18.82 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 125.609 1.564 . . . . 0.0 114.388 -164.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 36.1 mt -58.25 -50.23 79.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 122.733 0.413 . . . . 0.0 111.969 178.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -74.91 -31.9 61.67 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 121.735 -0.603 . . . . 0.0 112.518 178.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . 0.582 ' HB3' HD11 ' A' ' 32' ' ' ILE . 16.1 m0 -56.38 -39.67 73.31 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.062 0.945 . . . . 0.0 113.404 168.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 90.9 mt -68.92 -51.28 41.6 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-N 119.445 1.02 . . . . 0.0 111.269 169.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -63.11 -36.26 83.01 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 114.293 1.22 . . . . 0.0 114.293 -171.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 16.4 m -57.24 -32.9 67.03 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 119.219 0.918 . . . . 0.0 112.937 179.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 mm -66.53 -34.98 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.431 -0.793 . . . . 0.0 111.708 177.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -71.95 -15.76 62.08 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 124.927 1.291 . . . . 0.0 113.32 -175.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -100.15 2.47 56.56 Favored Glycine 0 CA--C 1.539 1.533 0 C-N-CA 125.498 1.523 . . . . 0.0 114.288 174.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.252 0 O-C-N 120.462 -1.611 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.026 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -134.01 -18.98 2.03 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.705 1.202 . . . . 0.0 113.903 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -50.53 -39.47 49.03 Favored 'General case' 0 N--CA 1.472 0.625 0 C-N-CA 124.408 1.083 . . . . 0.0 112.202 174.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 67.8 mt -62.66 -41.51 99.11 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.922 1.689 . . . . 0.0 111.419 -175.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ttp180 -66.36 -40.97 90.08 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.951 1.301 . . . . 0.0 111.738 174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.74 -41.55 87.66 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 175.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -55.27 -55.92 25.9 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 126.54 1.936 . . . . 0.0 111.325 172.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.0 mp -52.81 -51.45 60.76 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.969 0.908 . . . . 0.0 112.816 173.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -55.37 -40.72 71.66 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 119.248 0.931 . . . . 0.0 112.669 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -81.76 -41.82 9.46 Favored Glycine 0 C--N 1.331 0.277 0 N-CA-C 115.262 0.865 . . . . 0.0 115.262 -176.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.13 -41.4 83.56 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.213 168.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.261 0.3 OUTLIER -71.67 -29.66 64.84 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 117.941 -1.503 . . . . 0.0 113.893 -176.203 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.5 tm0? -66.89 -27.17 67.29 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.093 1.357 . . . . 0.0 112.127 175.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.94 -40.64 20.68 Favored Glycine 0 C--N 1.34 0.752 0 N-CA-C 111.535 -0.626 . . . . 0.0 111.535 176.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 90.8 mt -56.56 -42.76 76.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 CA-C-N 117.599 0.699 . . . . 0.0 111.437 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 20.4 ptmt -69.79 -33.3 72.19 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 114.462 1.282 . . . . 0.0 114.462 -178.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -78.98 -33.66 44.88 Favored 'General case' 0 N--CA 1.463 0.222 0 C-N-CA 124.651 1.18 . . . . 0.0 112.371 -176.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -60.78 -36.76 79.79 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 113.491 0.922 . . . . 0.0 113.491 172.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 76.1 ttt-85 -65.85 -36.91 84.77 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.283 0.492 . . . . 0.0 112.289 178.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -67.95 -35.0 77.65 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.645 1.578 . . . . 0.0 113.731 175.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.2 -25.54 62.56 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 124.661 1.185 . . . . 0.0 113.35 -166.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 tt -58.06 -27.26 63.45 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.851 0.75 . . . . 0.0 111.658 173.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.7 mt-10 -62.25 -27.95 69.36 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 113.971 1.1 . . . . 0.0 113.971 177.082 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -104.43 -2.32 25.54 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.091 1.756 . . . . 0.0 113.941 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.8 p -135.34 -23.44 1.46 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -170.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 38.21 46.84 0.92 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 127.618 2.367 . . . . 0.0 115.219 174.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -123.44 150.4 60.74 Favored Pre-proline 0 CA--C 1.546 0.793 0 C-N-CA 124.819 1.248 . . . . 0.0 112.436 -176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -73.91 -3.46 13.8 Favored 'Trans proline' 0 CA--C 1.54 0.799 0 C-N-CA 123.815 3.01 . . . . 0.0 113.528 179.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.3 t -76.99 -31.7 18.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 C-N-CA 125.074 1.349 . . . . 0.0 111.006 -174.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.407 HD12 ' H ' ' A' ' 29' ' ' LEU . 3.6 mp -66.55 -33.5 75.82 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 120.666 -1.271 . . . . 0.0 111.513 174.345 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.05 13.94 0.35 Allowed 'General case' 0 CA--C 1.557 1.213 0 C-N-CA 126.433 1.893 . . . . 0.0 114.357 166.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -126.08 -40.93 1.97 Allowed 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 127.532 2.333 . . . . 0.0 111.152 169.481 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.8 mt -62.18 -64.46 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 C-N-CA 124.625 1.17 . . . . 0.0 111.363 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.48 -20.95 60.56 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 118.726 0.694 . . . . 0.0 111.568 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tp10 -60.42 -38.18 83.26 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 122.919 0.488 . . . . 0.0 110.982 170.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -70.14 -47.9 59.72 Favored 'General case' 0 C--O 1.231 0.124 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 168.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -54.2 -23.13 13.37 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.303 0.956 . . . . 0.0 113.505 176.337 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -70.33 -34.14 72.32 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 123.821 0.848 . . . . 0.0 112.049 177.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.71 -43.65 30.35 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 118.035 -0.983 . . . . 0.0 111.292 168.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -49.37 -44.57 44.96 Favored 'General case' 0 CA--C 1.533 0.323 0 C-N-CA 125.302 1.441 . . . . 0.0 114.643 -166.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.5 mt -63.3 -42.13 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 177.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -71.06 -38.6 72.5 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.301 -0.875 . . . . 0.0 111.83 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 7.9 m0 -59.96 -21.77 61.62 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 126.928 2.091 . . . . 0.0 115.999 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.4 pp -97.3 -15.71 20.64 Favored 'General case' 0 N--CA 1.479 0.997 0 N-CA-C 114.427 1.269 . . . . 0.0 114.427 166.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.42 -37.84 13.69 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.726 1.61 . . . . 0.0 112.769 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.5 m -54.68 -37.0 65.24 Favored 'General case' 0 N--CA 1.467 0.423 0 C-N-CA 124.415 1.086 . . . . 0.0 111.684 172.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.9 mm -56.49 -34.45 41.42 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 C-N-CA 126.501 1.92 . . . . 0.0 112.837 176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 37.1 mt -76.58 -8.53 57.4 Favored 'General case' 0 CA--C 1.545 0.752 0 C-N-CA 125.222 1.409 . . . . 0.0 113.697 -178.076 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.16 9.9 81.37 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.818 1.199 . . . . 0.0 114.566 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.261 0 O-C-N 120.497 -1.59 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.209 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -56.22 -30.02 61.78 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.789 1.236 . . . . 0.0 114.233 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.5 p90 -55.44 -34.04 64.11 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 125.109 1.364 . . . . 0.0 113.777 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 72.4 mt -64.9 -45.38 86.15 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 124.568 1.147 . . . . 0.0 111.31 176.253 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -65.56 -38.38 89.41 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 123.04 0.536 . . . . 0.0 111.726 175.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -59.25 -38.46 80.12 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 118.672 0.669 . . . . 0.0 112.004 171.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -61.52 -52.25 65.26 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.72 1.608 . . . . 0.0 112.704 173.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 mp -59.58 -47.9 83.76 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.689 0.795 . . . . 0.0 113.048 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -73.04 43.27 0.12 Allowed 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 126.641 1.976 . . . . 0.0 113.334 -175.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.67 -19.39 0.02 OUTLIER Glycine 0 C--N 1.336 0.549 0 N-CA-C 119.211 2.444 . . . . 0.0 119.211 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -62.46 -39.6 93.92 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.415 1.108 . . . . 0.0 111.017 170.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 tp -63.89 -38.32 90.67 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 126.637 1.975 . . . . 0.0 111.992 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 77.7 mt-30 -65.05 -18.45 65.31 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 125.794 1.638 . . . . 0.0 112.772 173.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.68 -49.17 4.44 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 124.25 0.929 . . . . 0.0 111.461 167.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 88.9 mt -51.15 -52.75 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.243 0 CA-C-N 118.319 1.06 . . . . 0.0 110.931 -176.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -68.68 -33.43 73.96 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.207 0.817 . . . . 0.0 113.207 -172.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -74.0 -42.1 60.89 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 124.219 1.007 . . . . 0.0 112.464 177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.486 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 13.8 m-85 -63.45 -33.68 76.1 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 178.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.07 -32.36 73.78 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.47 -36.92 26.07 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.493 1.117 . . . . 0.0 112.82 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -56.95 -30.86 64.41 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 126.808 2.043 . . . . 0.0 113.486 -177.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.1 tt -59.21 -24.23 62.97 Favored 'General case' 0 N--CA 1.466 0.351 0 C-N-CA 123.64 0.776 . . . . 0.0 112.666 173.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -66.43 -29.81 70.03 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 120.457 1.481 . . . . 0.0 113.319 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 63.6 m-85 -86.37 -10.18 54.88 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.971 1.308 . . . . 0.0 114.161 176.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 27.7 p -132.52 -20.65 2.31 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.265 25.6 m-70 36.95 44.68 0.38 Allowed 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 128.319 2.647 . . . . 0.0 114.879 -172.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -115.62 131.48 23.63 Favored Pre-proline 0 CA--C 1.549 0.936 0 C-N-CA 125.107 1.363 . . . . 0.0 112.292 -175.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_endo -70.92 -16.39 32.66 Favored 'Trans proline' 0 C--N 1.354 0.826 0 C-N-CA 123.735 2.957 . . . . 0.0 113.674 -176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -56.19 -40.6 66.08 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 125.356 1.463 . . . . 0.0 112.202 173.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.4 mp -61.31 -29.57 69.96 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 118.861 0.755 . . . . 0.0 112.135 176.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.44 -40.56 89.52 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 118.616 -0.706 . . . . 0.0 112.147 171.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -64.38 -38.82 92.37 Favored 'General case' 0 N--CA 1.48 1.054 0 CA-C-N 120.244 1.384 . . . . 0.0 113.091 171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.486 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 64.1 mt -58.55 -60.98 1.6 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 175.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.68 -24.72 66.3 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -63.54 -38.98 93.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 118.55 0.614 . . . . 0.0 110.474 173.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.454 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.8 m-20 -72.88 -46.46 52.7 Favored 'General case' 0 CA--C 1.528 0.124 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 174.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.79 -23.49 43.8 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 120.19 1.359 . . . . 0.0 113.009 175.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -73.28 -39.69 65.15 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.463 -0.773 . . . . 0.0 111.527 175.318 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.454 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 52.9 mtmt -70.32 -42.98 71.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.702 1.201 . . . . 0.0 111.695 173.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.3 m170 -51.06 -45.16 61.29 Favored 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 126.569 1.948 . . . . 0.0 114.147 -172.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 98.9 mt -58.84 -50.4 79.57 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 CA-C-N 118.145 0.43 . . . . 0.0 111.484 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -69.38 -35.6 75.99 Favored 'General case' 0 N--CA 1.468 0.456 0 O-C-N 121.559 -0.713 . . . . 0.0 112.158 178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 20.2 m0 -58.23 -40.26 81.24 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.501 1.52 . . . . 0.0 114.149 174.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.6 pp -84.33 -31.07 25.03 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 119.628 1.104 . . . . 0.0 113.752 174.123 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -65.68 -36.66 84.27 Favored 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 119.089 0.858 . . . . 0.0 113.15 172.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 27.5 m -56.88 -36.85 70.57 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.198 0.999 . . . . 0.0 112.574 -176.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 10.5 mm -65.8 -34.97 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.274 0.629 . . . . 0.0 111.913 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 52.2 mt -73.14 -8.69 56.9 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 124.824 1.25 . . . . 0.0 113.639 -177.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -113.82 8.1 23.73 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 125.889 1.709 . . . . 0.0 114.051 174.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.518 -1.577 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -142.3 -25.94 0.65 Allowed 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 113.942 1.09 . . . . 0.0 113.942 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -52.68 -37.27 58.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.756 1.222 . . . . 0.0 112.329 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 73.1 mt -64.96 -41.62 95.32 Favored 'General case' 0 CA--C 1.535 0.373 0 C-N-CA 124.861 1.264 . . . . 0.0 110.709 -175.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.3 tpt85 -63.25 -46.78 85.28 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.257 0.623 . . . . 0.0 110.801 170.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -61.27 -35.81 78.3 Favored 'General case' 0 CA--C 1.545 0.775 0 CA-C-N 118.584 0.629 . . . . 0.0 112.555 179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -64.28 -65.36 0.69 Allowed 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 127.085 2.154 . . . . 0.0 111.902 172.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.92 -40.36 88.57 Favored 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 113.658 0.985 . . . . 0.0 113.658 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -67.07 -8.12 28.03 Favored 'General case' 0 CA--C 1.546 0.808 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -125.63 -27.62 1.15 Allowed Glycine 0 C--N 1.341 0.839 0 N-CA-C 118.016 1.966 . . . . 0.0 118.016 -179.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -57.57 -37.82 73.79 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.361 1.58 . . . . 0.0 112.612 170.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.07 -27.38 67.32 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 113.162 0.801 . . . . 0.0 113.162 -175.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.0 tt0 -64.12 -24.66 67.77 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 126.742 2.017 . . . . 0.0 111.733 177.194 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.26 -43.15 9.79 Favored Glycine 0 CA--C 1.528 0.872 0 CA-C-O 119.066 -0.852 . . . . 0.0 111.899 173.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 58.6 mt -55.41 -49.01 76.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.186 0 CA-C-N 118.281 1.041 . . . . 0.0 110.373 -176.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -67.92 -40.5 83.38 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.957 -170.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.55 -30.4 65.84 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 113.355 0.872 . . . . 0.0 113.355 -176.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -61.69 -29.97 70.44 Favored 'General case' 0 C--O 1.233 0.236 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 171.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.0 mtp180 -70.13 -21.74 63.06 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 -178.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 13.7 tt0 -79.42 -35.23 40.89 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.778 0.831 . . . . 0.0 113.011 174.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.1 -21.59 64.95 Favored 'General case' 0 CA--C 1.536 0.429 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 -165.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.2 tt -62.63 -18.26 61.91 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.891 0.876 . . . . 0.0 112.206 173.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -64.26 -26.11 68.35 Favored 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 171.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -117.65 -33.46 4.54 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 123.854 0.861 . . . . 0.0 112.605 -175.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -83.39 -31.7 26.57 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 176.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 38.68 47.62 1.18 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 126.131 1.772 . . . . 0.0 113.826 -171.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -117.19 147.53 40.55 Favored Pre-proline 0 CA--C 1.548 0.879 0 C-N-CA 124.622 1.169 . . . . 0.0 113.461 -168.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_endo -73.27 -11.02 24.71 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.715 2.943 . . . . 0.0 113.505 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 t -69.67 -36.93 72.7 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 124.597 1.159 . . . . 0.0 111.157 -177.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 92.2 mt -60.98 -38.08 84.73 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.166 -0.959 . . . . 0.0 112.057 173.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.5 10.48 0.25 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 125.645 1.578 . . . . 0.0 114.371 171.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.0 ttmm -130.39 -40.66 1.26 Allowed 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 127.115 2.166 . . . . 0.0 111.862 172.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.2 mt -63.07 -63.2 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 124.481 1.112 . . . . 0.0 111.201 175.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -72.46 -23.39 61.05 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 121.866 -0.521 . . . . 0.0 111.508 -179.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -59.74 -40.23 87.4 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 119.169 -0.443 . . . . 0.0 110.932 170.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -70.52 -47.32 61.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 119.103 0.865 . . . . 0.0 113.247 172.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -56.51 -22.5 33.27 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 119.476 1.035 . . . . 0.0 113.658 176.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -66.91 -28.36 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.59 0.756 . . . . 0.0 111.726 177.367 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.56 -43.11 11.02 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.592 1.157 . . . . 0.0 112.364 171.129 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.0 m170 -46.72 -43.08 17.61 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.782 1.633 . . . . 0.0 115.317 -164.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.9 mt -64.68 -51.98 60.55 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 0 C-N-CA 123.627 0.771 . . . . 0.0 111.384 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -65.13 -32.61 74.39 Favored 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 173.288 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 8.2 m0 -57.68 -31.9 66.81 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 115.441 1.645 . . . . 0.0 115.441 174.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.4 -27.21 18.47 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 121.314 1.87 . . . . 0.0 113.804 169.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.09 -35.8 78.76 Favored 'General case' 0 N--CA 1.471 0.587 0 O-C-N 121.045 -1.034 . . . . 0.0 112.124 176.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 52.4 m -51.37 -39.76 57.8 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 126.345 1.858 . . . . 0.0 112.062 171.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 16.6 mm -67.49 -39.88 83.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 C-N-CA 123.601 0.76 . . . . 0.0 112.831 178.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 83.1 mt -75.59 3.0 10.33 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 126.145 1.778 . . . . 0.0 114.819 -169.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -162.24 -167.96 23.45 Favored Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.822 1.201 . . . . 0.0 113.829 179.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.411 0 O-C-N 120.843 -1.386 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.128 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.3 -24.98 58.47 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -55.08 -37.61 67.01 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.252 1.021 . . . . 0.0 112.794 174.595 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 80.4 mt -60.89 -42.85 98.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.088 1.755 . . . . 0.0 111.81 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 45.7 ttp180 -67.58 -43.44 80.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.768 0.827 . . . . 0.0 110.721 175.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -67.64 -24.94 65.51 Favored 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 112.528 0.566 . . . . 0.0 112.528 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.85 -30.27 71.37 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.954 2.102 . . . . 0.0 114.349 176.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -106.16 -17.63 14.26 Favored 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 126.188 1.795 . . . . 0.0 114.492 -168.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.2 tttp -82.24 60.37 4.95 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 128.063 2.545 . . . . 0.0 112.083 -165.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.7 -8.71 0.12 Allowed Glycine 0 C--O 1.228 -0.229 0 N-CA-C 118.08 1.992 . . . . 0.0 118.08 -177.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -59.72 -35.71 75.1 Favored 'General case' 0 CA--C 1.548 0.872 0 CA-C-N 118.591 1.196 . . . . 0.0 110.48 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.49 -15.95 60.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 128.088 2.555 . . . . 0.0 116.541 169.048 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 31.4 tt0 -69.63 -16.18 63.33 Favored 'General case' 0 CA--C 1.547 0.844 0 CA-C-N 118.748 0.703 . . . . 0.0 111.073 161.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.86 -46.86 1.7 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 125.875 1.702 . . . . 0.0 113.272 173.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.8 mt -47.8 -51.47 8.14 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 119.746 1.773 . . . . 0.0 111.284 -178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 53.3 pttt -72.16 -26.27 62.02 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 -175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 -85.32 -32.32 22.55 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.189 1.396 . . . . 0.0 113.203 177.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.49 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 14.5 m-85 -61.39 -38.3 86.53 Favored 'General case' 0 C--O 1.234 0.257 0 O-C-N 121.387 -0.82 . . . . 0.0 112.629 171.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 mtt180 -59.89 -42.16 93.19 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 122.621 0.369 . . . . 0.0 111.252 176.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -65.84 -36.14 82.64 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.966 1.707 . . . . 0.0 113.181 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.19 -29.74 65.55 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.272 1.029 . . . . 0.0 113.416 177.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -66.87 -22.24 65.99 Favored 'General case' 0 N--CA 1.471 0.585 0 O-C-N 121.0 -1.062 . . . . 0.0 112.953 172.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.49 -28.71 70.14 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 120.234 1.379 . . . . 0.0 113.45 171.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 88.9 m-85 -97.01 -37.52 10.13 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 124.257 1.023 . . . . 0.0 113.295 178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 69.8 p -86.1 -35.44 20.23 Favored 'General case' 0 N--CA 1.48 1.051 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -178.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 36.3 m-70 52.46 11.57 0.19 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 127.41 2.284 . . . . 0.0 115.905 -167.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -75.53 145.42 79.07 Favored Pre-proline 0 CA--C 1.549 0.928 0 O-C-N 120.382 -1.449 . . . . 0.0 113.334 -175.309 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.79 -17.78 32.65 Favored 'Trans proline' 0 C--N 1.354 0.816 0 C-N-CA 123.672 2.915 . . . . 0.0 113.11 177.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 10.9 t -67.45 -44.5 86.78 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 O-C-N 121.219 -0.926 . . . . 0.0 112.175 179.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.442 ' HA ' HD12 ' B' ' 32' ' ' ILE . 6.7 mp -58.82 -35.2 72.48 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-N 119.435 1.016 . . . . 0.0 112.159 171.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.47 -47.74 84.29 Favored 'General case' 0 CA--C 1.541 0.635 0 CA-C-O 117.868 -1.063 . . . . 0.0 111.535 171.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 38.6 mttt -57.61 -42.37 83.17 Favored 'General case' 0 N--CA 1.484 1.268 0 CA-C-N 120.862 1.664 . . . . 0.0 113.686 171.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.49 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 65.1 mt -59.78 -61.49 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.703 0 C-N-CA 123.685 0.794 . . . . 0.0 109.036 179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 pp -67.79 -25.65 65.7 Favored 'General case' 0 CA--C 1.533 0.315 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -179.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -64.65 -35.22 80.31 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 118.467 0.576 . . . . 0.0 111.213 171.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 56.3 m-20 -75.13 -45.53 40.34 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 114.093 1.146 . . . . 0.0 114.093 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -57.55 -25.64 60.23 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 119.646 1.112 . . . . 0.0 112.83 175.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -71.49 -33.19 69.05 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.533 -0.729 . . . . 0.0 112.261 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttm -93.44 -26.64 17.12 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.228 1.411 . . . . 0.0 113.469 177.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 15.3 m170 -53.97 -50.14 67.21 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.762 1.625 . . . . 0.0 114.143 177.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 66.2 mt -60.52 -41.11 86.53 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 CA-C-N 118.632 0.651 . . . . 0.0 111.218 -175.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -71.58 -41.67 68.72 Favored 'General case' 0 N--CA 1.467 0.403 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 171.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 15.0 m0 -50.27 -45.93 54.67 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.97 0.908 . . . . 0.0 113.14 174.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -80.3 1.77 27.32 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 178.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -114.18 -30.04 6.77 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.124 1.37 . . . . 0.0 112.74 176.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.7 m -54.84 -29.96 56.38 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 124.717 1.207 . . . . 0.0 112.614 172.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 79.2 mt -50.39 -34.73 11.83 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.843 0 C-N-CA 125.898 1.679 . . . . 0.0 112.428 172.273 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 33.1 mt -85.69 -15.0 43.73 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.695 1.198 . . . . 0.0 114.148 -167.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.58 22.21 0.02 OUTLIER Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.931 1.132 . . . . 0.0 115.931 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 O-C-N 120.262 -1.728 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.011 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -129.35 -20.97 3.26 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.914 1.285 . . . . 0.0 113.664 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.4 p90 -53.3 -39.48 64.03 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.913 1.285 . . . . 0.0 113.423 179.626 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -65.25 -38.02 89.03 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.74 1.216 . . . . 0.0 112.455 179.257 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 -63.64 -43.14 97.64 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.748 0.419 . . . . 0.0 110.91 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -65.25 -39.97 93.38 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 118.136 0.426 . . . . 0.0 111.915 178.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.2 mt -59.46 -60.44 3.85 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 126.472 1.909 . . . . 0.0 112.537 172.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mt -69.44 -36.33 76.53 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 114.341 1.237 . . . . 0.0 114.341 -173.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 ttmt -67.11 -28.45 68.17 Favored 'General case' 0 N--CA 1.479 0.977 0 CA-C-N 119.032 0.833 . . . . 0.0 112.028 173.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.37 -33.72 3.84 Favored Glycine 0 C--N 1.341 0.811 0 N-CA-C 117.099 1.6 . . . . 0.0 117.099 -166.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -62.96 -31.17 72.22 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 118.919 1.36 . . . . 0.0 112.17 175.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -68.46 -29.47 68.11 Favored 'General case' 0 CA--C 1.542 0.669 0 O-C-N 121.067 -1.021 . . . . 0.0 111.496 178.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -65.15 -21.7 66.82 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.945 1.698 . . . . 0.0 112.158 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.48 -39.83 6.61 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.192 0.901 . . . . 0.0 112.562 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 86.7 mt -56.98 -46.98 84.15 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 CA-C-N 118.673 1.236 . . . . 0.0 110.731 -177.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 24.2 ttpt -70.72 -32.1 69.18 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -171.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.7 mm100 -75.59 -38.17 59.3 Favored 'General case' 0 CA--C 1.529 0.139 0 C-N-CA 125.212 1.405 . . . . 0.0 112.115 178.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 -63.61 -37.39 87.16 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 175.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtp180 -65.12 -33.15 75.34 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 118.53 0.604 . . . . 0.0 112.406 177.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -69.22 -33.46 73.35 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.774 1.229 . . . . 0.0 112.864 176.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.68 -32.37 65.74 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.644 1.178 . . . . 0.0 113.08 -169.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.3 tt -58.01 -23.99 56.4 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 123.651 0.78 . . . . 0.0 112.436 177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -61.52 -27.71 68.8 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 172.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -101.56 -35.61 9.08 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.012 1.325 . . . . 0.0 112.963 176.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.2 p -84.8 -35.5 22.29 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 119.801 1.182 . . . . 0.0 114.13 -178.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.0 m-70 42.19 27.42 0.08 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 126.683 1.993 . . . . 0.0 115.248 -166.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -94.87 152.72 39.86 Favored Pre-proline 0 CA--C 1.547 0.847 0 O-C-N 120.912 -1.118 . . . . 0.0 113.025 -175.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -72.95 -6.6 19.3 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 123.966 3.111 . . . . 0.0 113.574 175.179 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -68.68 -37.42 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 124.329 1.052 . . . . 0.0 112.148 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 96.0 mt -66.48 -32.98 74.68 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.033 0.933 . . . . 0.0 111.581 175.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.88 10.15 0.57 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 125.864 1.666 . . . . 0.0 114.341 168.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -125.09 -42.22 2.03 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 126.526 1.93 . . . . 0.0 112.104 162.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.9 mt -64.58 -60.96 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 CA-C-N 118.856 0.753 . . . . 0.0 111.117 -178.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.7 -25.89 54.1 Favored 'General case' 0 C--O 1.224 -0.251 0 O-C-N 121.778 -0.576 . . . . 0.0 110.491 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tp10 -59.75 -25.31 64.76 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 122.795 0.438 . . . . 0.0 111.397 170.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -85.05 -45.69 11.88 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 114.702 1.371 . . . . 0.0 114.702 165.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 mm-40 -56.82 -25.05 55.14 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 120.656 1.571 . . . . 0.0 113.554 176.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -66.33 -26.98 67.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.81 1.244 . . . . 0.0 111.712 179.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -104.66 -27.4 11.85 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 126.251 1.82 . . . . 0.0 113.187 179.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -54.57 -44.39 72.92 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 125.969 1.708 . . . . 0.0 115.239 179.549 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 64.1 mt -62.07 -54.47 34.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 CA-C-N 118.559 0.618 . . . . 0.0 110.718 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -61.62 -35.65 78.48 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 176.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.2 m0 -55.27 -35.56 65.16 Favored 'General case' 0 CA--C 1.54 0.588 0 N-CA-C 115.911 1.819 . . . . 0.0 115.911 174.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -87.06 -30.49 21.12 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 121.129 1.786 . . . . 0.0 113.625 169.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.81 -39.09 93.03 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 119.298 0.954 . . . . 0.0 112.271 178.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 19.6 m -50.85 -37.77 45.18 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 124.521 1.128 . . . . 0.0 112.071 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.4 mm -70.77 -36.48 64.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 56.6 mt -70.06 -25.47 63.56 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 -174.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.27 21.77 0.03 OUTLIER Glycine 0 CA--C 1.536 1.375 0 N-CA-C 116.039 1.176 . . . . 0.0 116.039 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 O-C-N 120.202 -1.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -56.32 -25.16 47.88 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 125.367 1.467 . . . . 0.0 114.101 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -51.26 -42.32 60.98 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 125.91 1.684 . . . . 0.0 113.159 178.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.3 mt -64.2 -40.13 95.44 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.429 1.092 . . . . 0.0 111.69 -175.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 19.5 ttt180 -62.81 -36.67 83.93 Favored 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 125.138 1.375 . . . . 0.0 112.263 172.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -74.68 -43.22 56.31 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.064 0.546 . . . . 0.0 112.272 177.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -51.98 -54.99 23.26 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 127.146 2.179 . . . . 0.0 112.997 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . 0.279 0.1 OUTLIER -81.55 5.44 17.97 Favored 'General case' 0 CA--C 1.551 0.999 0 N-CA-C 115.364 1.616 . . . . 0.0 115.364 -167.423 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 68.2 tttt -124.07 49.71 1.74 Allowed 'General case' 0 C--N 1.346 0.444 0 O-C-N 120.076 -1.64 . . . . 0.0 109.228 -160.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 171.01 -27.83 0.11 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-N 112.971 -1.922 . . . . 0.0 113.611 -167.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -48.88 -38.03 21.38 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.452 1.101 . . . . 0.0 111.962 164.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.3 pp -88.16 -16.28 33.79 Favored 'General case' 0 C--N 1.341 0.213 0 C-N-CA 126.268 1.827 . . . . 0.0 115.817 176.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -62.95 -24.27 67.79 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 155.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -80.49 -54.36 3.76 Favored Glycine 0 CA--C 1.533 1.213 0 C-N-CA 124.99 1.281 . . . . 0.0 112.951 166.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.3 mt -50.96 -48.51 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 CA-C-N 119.23 1.515 . . . . 0.0 110.956 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -75.44 -24.39 57.05 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.943 0.897 . . . . 0.0 113.393 -173.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 27.6 mm-40 -78.48 -42.15 30.57 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 124.821 1.248 . . . . 0.0 112.617 170.568 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.6 m-85 -59.67 -37.15 77.97 Favored 'General case' 0 CA--C 1.532 0.286 0 O-C-N 121.484 -0.76 . . . . 0.0 112.788 176.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.5 mtt85 -63.85 -20.45 65.82 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 176.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -94.62 -34.25 12.68 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.572 1.549 . . . . 0.0 111.94 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -58.53 -32.5 68.92 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 126.961 2.105 . . . . 0.0 113.598 178.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 10.2 tt -59.7 -28.63 67.47 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 118.807 -0.616 . . . . 0.0 112.046 173.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -67.88 -30.27 69.58 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 120.196 1.362 . . . . 0.0 112.971 177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -89.16 -9.73 49.81 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 125.909 1.684 . . . . 0.0 114.605 177.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -132.15 -30.98 1.49 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 -171.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 71.0 m-70 50.74 12.29 0.1 Allowed 'General case' 0 CA--C 1.555 1.153 0 C-N-CA 128.567 2.747 . . . . 0.0 117.118 -176.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -77.88 152.51 80.05 Favored Pre-proline 0 CA--C 1.549 0.935 0 O-C-N 120.618 -1.301 . . . . 0.0 113.742 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -72.74 -12.06 26.31 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.842 3.028 . . . . 0.0 113.524 177.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.1 p -66.87 -33.06 60.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 O-C-N 121.143 -0.973 . . . . 0.0 113.205 -177.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -63.81 -31.82 73.12 Favored 'General case' 0 CA--C 1.54 0.558 0 O-C-N 121.618 -0.676 . . . . 0.0 110.919 175.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.22 9.78 0.92 Allowed 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 125.18 1.392 . . . . 0.0 114.36 169.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -118.82 -47.57 2.5 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 126.853 2.061 . . . . 0.0 111.141 163.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 49.3 mt -61.7 -65.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.773 0 C-N-CA 123.944 0.898 . . . . 0.0 110.377 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.58 -27.12 65.78 Favored 'General case' 0 N--CA 1.466 0.365 0 O-C-N 122.108 -0.37 . . . . 0.0 111.663 -179.732 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.77 -39.5 89.03 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 119.176 -0.44 . . . . 0.0 111.833 172.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 83.2 m-20 -74.82 -42.28 58.34 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 119.354 0.979 . . . . 0.0 113.22 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 35.5 mm-40 -55.46 -25.83 38.82 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.938 0.79 . . . . 0.0 112.262 173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -70.72 -23.97 62.55 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.071 0.948 . . . . 0.0 112.426 177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -45.29 12.45 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.976 0.91 . . . . 0.0 112.449 165.221 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.6 m170 -47.66 -44.32 27.02 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 125.988 1.715 . . . . 0.0 115.172 -165.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 69.5 mt -61.96 -47.6 92.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 C-N-CA 123.418 0.687 . . . . 0.0 111.759 177.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -71.97 -35.37 69.51 Favored 'General case' 0 N--CA 1.467 0.408 0 O-C-N 121.413 -0.805 . . . . 0.0 112.075 175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.11 -47.73 74.6 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 124.998 1.319 . . . . 0.0 113.239 172.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 pp -74.13 -30.53 62.35 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 120.116 1.326 . . . . 0.0 113.007 175.652 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -73.02 -44.47 60.83 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.423 0.897 . . . . 0.0 113.423 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 23.6 m -58.4 -27.82 64.64 Favored 'General case' 0 N--CA 1.482 1.139 0 CA-C-N 119.901 1.228 . . . . 0.0 113.08 -176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.1 mm -90.45 -20.02 7.06 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.72 0 C-N-CA 125.124 1.37 . . . . 0.0 112.266 -179.726 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 4.9 mp 41.85 35.29 0.51 Allowed 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 126.398 1.879 . . . . 0.0 113.604 -165.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 57.03 23.57 47.04 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 124.676 1.132 . . . . 0.0 115.443 -175.654 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.383 0 O-C-N 120.058 -1.848 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -148.96 -31.63 0.24 Allowed 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.265 1.026 . . . . 0.0 113.086 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -58.43 -34.5 70.88 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 124.855 1.262 . . . . 0.0 114.363 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 47' ' ' LEU . 34.9 mt -62.15 -53.03 61.17 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 179.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 46.3 ttp180 -56.8 -44.16 81.65 Favored 'General case' 0 N--CA 1.48 1.025 0 CA-C-O 119.087 -0.482 . . . . 0.0 112.046 175.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -56.9 -34.23 67.7 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 112.921 0.712 . . . . 0.0 112.921 174.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.49 -56.88 4.69 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 126.293 1.837 . . . . 0.0 113.554 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mp -61.74 -40.15 94.1 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.568 0.747 . . . . 0.0 111.673 -177.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -74.35 53.58 0.53 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 125.654 1.582 . . . . 0.0 112.772 173.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -178.85 -27.67 0.05 OUTLIER Glycine 0 N--CA 1.46 0.27 0 N-CA-C 118.122 2.009 . . . . 0.0 118.122 164.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -58.12 -34.11 69.88 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.603 1.201 . . . . 0.0 112.414 171.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -28.24 69.63 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.584 -0.697 . . . . 0.0 112.847 -178.306 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -64.76 -25.85 68.1 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 126.589 1.956 . . . . 0.0 111.643 177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.62 -43.46 6.87 Favored Glycine 0 CA--C 1.526 0.764 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.698 175.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.3 mt -55.86 -45.53 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.196 0 CA-C-N 118.586 1.193 . . . . 0.0 111.135 -176.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.8 tttm -80.91 -15.36 56.51 Favored 'General case' 0 CA--C 1.539 0.523 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 -176.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -83.53 -36.17 24.25 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.455 1.102 . . . . 0.0 112.715 171.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -56.76 -34.75 67.88 Favored 'General case' 0 C--O 1.234 0.257 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.0 ttp180 -69.21 -28.76 66.65 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 113.564 0.949 . . . . 0.0 113.564 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -71.77 -36.12 70.28 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 119.35 0.977 . . . . 0.0 111.994 168.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.93 -27.89 57.77 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 124.15 0.98 . . . . 0.0 112.771 -170.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -53.6 -38.67 64.21 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.467 1.03 . . . . 0.0 111.214 169.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -64.97 -15.26 62.03 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 114.451 1.278 . . . . 0.0 114.451 178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -112.45 -0.02 15.43 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 128.061 2.545 . . . . 0.0 112.785 -175.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.6 p -139.86 -44.07 0.43 Allowed 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.798 1.239 . . . . 0.0 112.71 -171.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 33.5 m-70 47.14 40.25 9.6 Favored 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 128.709 2.804 . . . . 0.0 114.38 -177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -107.09 155.5 39.15 Favored Pre-proline 0 CA--C 1.547 0.836 0 C-N-CA 124.11 0.964 . . . . 0.0 113.466 -172.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -69.31 -5.27 15.51 Favored 'Trans proline' 0 C--N 1.354 0.868 0 C-N-CA 124.204 3.269 . . . . 0.0 113.758 178.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 t -80.5 -36.01 15.69 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.214 0 C-N-CA 124.71 1.204 . . . . 0.0 110.591 -175.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -65.49 -33.42 75.89 Favored 'General case' 0 CA--C 1.542 0.638 0 O-C-N 120.815 -1.178 . . . . 0.0 111.635 176.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.03 4.09 0.72 Allowed 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 126.087 1.755 . . . . 0.0 114.738 168.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -122.43 -44.79 2.23 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 127.355 2.262 . . . . 0.0 111.05 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mt -65.4 -71.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 C-N-CA 123.536 0.735 . . . . 0.0 110.15 -178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -27.74 69.24 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 118.097 0.408 . . . . 0.0 111.513 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -58.95 -41.86 88.48 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 123.507 0.723 . . . . 0.0 111.059 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -74.04 -44.23 55.07 Favored 'General case' 0 C--O 1.233 0.205 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 173.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -57.82 -26.83 62.52 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -66.95 -22.52 65.93 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.418 0.687 . . . . 0.0 111.716 -179.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -99.76 -42.27 6.91 Favored 'General case' 0 CA--C 1.515 -0.375 0 C-N-CA 126.811 2.044 . . . . 0.0 111.682 177.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.3 m170 -45.69 -52.0 11.53 Favored 'General case' 0 CA--C 1.531 0.235 0 C-N-CA 126.394 1.878 . . . . 0.0 115.432 -171.092 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.54 -47.52 90.6 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 CA-C-N 118.907 0.776 . . . . 0.0 110.875 -178.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -68.59 -35.53 77.48 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 122.599 0.36 . . . . 0.0 111.792 176.514 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 14.5 m0 -52.89 -33.05 48.4 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-O 117.539 -1.219 . . . . 0.0 113.338 171.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.05 33.85 2.71 Favored 'General case' 0 CA--C 1.562 1.406 0 CA-C-N 121.905 2.139 . . . . 0.0 116.316 175.235 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -150.21 -46.96 0.13 Allowed 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 131.535 3.934 . . . . 0.0 109.642 -173.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.2 m -56.23 -36.06 68.06 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.22 1.008 . . . . 0.0 111.936 177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.536 HG13 HG11 ' B' ' 28' ' ' VAL . 14.6 mm -66.79 -46.24 85.94 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.464 0 C-N-CA 126.788 2.035 . . . . 0.0 114.554 174.422 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.522 HD13 HD13 ' A' ' 3' ' ' LEU . 54.0 mt -60.54 -30.66 69.9 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.228 1.011 . . . . 0.0 112.046 -167.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -175.4 -20.12 0.02 OUTLIER Glycine 0 CA--C 1.538 1.477 0 C-N-CA 126.049 1.785 . . . . 0.0 113.515 174.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.239 0 O-C-N 120.469 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.024 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.27 -26.13 63.68 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 113.408 0.892 . . . . 0.0 113.408 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.8 p90 -57.41 -35.52 70.15 Favored 'General case' 0 N--CA 1.467 0.421 0 C-N-CA 124.653 1.181 . . . . 0.0 113.084 178.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 77.7 mt -58.15 -53.75 54.76 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.737 1.615 . . . . 0.0 110.804 179.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -58.55 -43.92 89.46 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.506 0.722 . . . . 0.0 111.232 176.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -63.39 -35.02 79.02 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 179.076 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mp -66.62 -54.88 18.59 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 126.827 2.051 . . . . 0.0 112.683 173.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 22.2 mt -59.72 -46.11 90.12 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.967 1.707 . . . . 0.0 112.496 -179.473 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -76.82 57.78 1.35 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 127.121 2.169 . . . . 0.0 112.734 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.61 -33.26 0.05 OUTLIER Glycine 0 CA--C 1.521 0.447 0 N-CA-C 116.883 1.513 . . . . 0.0 116.883 176.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -56.75 -35.18 68.32 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.898 0.879 . . . . 0.0 112.582 172.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.63 -30.3 71.42 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.578 1.551 . . . . 0.0 113.084 176.156 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -65.63 -20.66 66.39 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.886 1.275 . . . . 0.0 111.712 173.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.57 -38.88 7.41 Favored Glycine 0 C--N 1.342 0.873 0 C-N-CA 125.177 1.37 . . . . 0.0 112.267 175.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.4 mm -50.66 -50.46 22.56 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.347 0 CA-C-N 118.876 1.338 . . . . 0.0 111.022 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 5.4 mtpp -75.29 -23.26 57.35 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.119 0.967 . . . . 0.0 113.482 -176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -78.94 -40.18 32.61 Favored 'General case' 0 N--CA 1.462 0.141 0 C-N-CA 124.023 0.929 . . . . 0.0 112.032 174.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -61.87 -39.57 92.37 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 113.318 0.858 . . . . 0.0 113.318 179.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -66.35 -28.21 68.48 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 176.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -79.67 -32.84 41.56 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.897 1.679 . . . . 0.0 112.898 171.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.42 -31.24 68.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.945 1.698 . . . . 0.0 113.631 -176.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -60.36 -23.44 64.28 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.544 -0.723 . . . . 0.0 112.351 172.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.13 -24.17 63.14 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 114.036 1.125 . . . . 0.0 114.036 176.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -96.87 -48.82 5.29 Favored 'General case' 0 N--CA 1.465 0.304 0 C-N-CA 124.698 1.199 . . . . 0.0 112.963 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 70.6 p -70.02 -44.13 69.91 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 123.798 0.839 . . . . 0.0 112.577 -178.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.263 14.6 m-70 61.8 25.17 15.1 Favored 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 127.387 2.275 . . . . 0.0 115.181 -174.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -110.0 151.66 42.59 Favored Pre-proline 0 N--CA 1.482 1.128 0 O-C-N 120.449 -1.407 . . . . 0.0 114.769 -166.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -68.87 -16.0 40.92 Favored 'Trans proline' 0 C--N 1.355 0.877 0 C-N-CA 123.473 2.782 . . . . 0.0 113.272 178.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.536 HG11 HG13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -67.94 -40.71 83.86 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 O-C-N 121.522 -0.736 . . . . 0.0 112.218 179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -55.29 -38.42 68.61 Favored 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.433 1.093 . . . . 0.0 110.364 177.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.63 -52.87 63.31 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.331 0.652 . . . . 0.0 112.152 174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.8 tttp -66.53 -34.58 78.23 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.947 1.249 . . . . 0.0 113.927 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 58.8 mt -62.74 -63.26 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.39 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 173.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.94 -30.4 70.88 Favored 'General case' 0 CA--C 1.531 0.236 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -176.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -61.26 -42.37 98.51 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 123.545 0.738 . . . . 0.0 111.234 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.475 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 71.7 m-20 -72.21 -44.77 62.46 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 112.959 0.725 . . . . 0.0 112.959 178.5 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 23.3 mm-40 -54.56 -29.62 51.69 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 123.506 0.722 . . . . 0.0 112.446 175.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -63.72 -29.47 70.69 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 123.258 0.623 . . . . 0.0 110.854 -178.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.475 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 12.2 mtmt -90.49 -41.36 11.46 Favored 'General case' 0 CA--C 1.515 -0.388 0 C-N-CA 126.503 1.921 . . . . 0.0 111.428 177.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.8 m170 -47.93 -47.26 32.54 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.756 1.622 . . . . 0.0 114.839 -171.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.58 -49.72 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 CA-C-N 119.501 1.046 . . . . 0.0 111.553 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.3 tt0 -68.0 -36.45 80.0 Favored 'General case' 0 CA--C 1.539 0.526 0 O-C-N 121.338 -0.851 . . . . 0.0 111.96 177.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.8 m0 -53.21 -44.06 67.69 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.681 1.192 . . . . 0.0 111.977 173.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 78.3 mt -57.14 -46.52 82.63 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 119.657 1.117 . . . . 0.0 112.885 174.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.2 -33.58 76.12 Favored 'General case' 0 CA--C 1.541 0.628 0 N-CA-C 112.482 0.549 . . . . 0.0 112.482 -179.185 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 94.1 m -60.13 -23.29 63.77 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.758 1.223 . . . . 0.0 113.463 174.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 75.7 mt -68.57 -41.81 83.17 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 124.192 0.997 . . . . 0.0 112.331 179.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER 42.06 48.68 4.11 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.018 1.727 . . . . 0.0 114.422 -172.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -90.29 152.13 21.93 Favored Glycine 0 CA--C 1.535 1.316 0 O-C-N 121.444 -0.785 . . . . 0.0 113.332 178.014 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.426 0 O-C-N 120.763 -1.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.019 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -137.28 -29.0 0.9 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.589 1.155 . . . . 0.0 113.485 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -55.31 -37.64 67.64 Favored 'General case' 0 C--O 1.221 -0.438 0 N-CA-C 112.918 0.71 . . . . 0.0 112.918 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 97.3 mt -64.77 -34.98 79.62 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 124.065 0.946 . . . . 0.0 112.688 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -67.46 -45.32 76.33 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 118.203 -0.903 . . . . 0.0 110.762 167.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -61.16 -36.4 79.7 Favored 'General case' 0 N--CA 1.479 1.004 0 CA-C-N 119.718 1.144 . . . . 0.0 113.309 177.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -57.85 -61.36 2.59 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 128.067 2.547 . . . . 0.0 111.686 171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 56.9 mt -73.32 -32.92 64.86 Favored 'General case' 0 C--O 1.233 0.23 0 C-N-CA 124.577 1.151 . . . . 0.0 113.512 -175.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -65.67 53.07 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.857 0 CA-C-N 119.463 1.029 . . . . 0.0 113.561 160.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -169.92 -42.0 0.03 OUTLIER Glycine 0 CA--C 1.52 0.394 0 N-CA-C 120.885 3.114 . . . . 0.0 120.885 169.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -65.27 -20.27 66.34 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 119.812 1.806 . . . . 0.0 113.919 -176.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.34 -28.56 66.33 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.876 -1.14 . . . . 0.0 112.591 170.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -72.12 -7.73 50.71 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.546 1.539 . . . . 0.0 113.12 -178.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.48 -33.29 7.23 Favored Glycine 0 CA--C 1.53 0.988 0 C-N-CA 124.352 0.977 . . . . 0.0 112.524 171.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.9 mm -54.6 -44.31 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 CA-C-N 118.84 1.32 . . . . 0.0 112.282 -174.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 96.8 mttt -81.04 -13.02 59.2 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 -171.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -89.92 -36.75 14.84 Favored 'General case' 0 CA--C 1.529 0.161 0 C-N-CA 123.928 0.891 . . . . 0.0 112.08 171.197 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -63.42 -43.42 97.53 Favored 'General case' 0 C--O 1.234 0.254 0 N-CA-C 113.183 0.808 . . . . 0.0 113.183 178.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -65.5 -25.26 67.39 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 113.036 0.754 . . . . 0.0 113.036 176.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -78.88 -32.46 45.89 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 125.661 1.584 . . . . 0.0 112.644 174.006 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -79.37 -26.3 42.04 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.855 1.262 . . . . 0.0 113.991 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 tt -57.53 -29.68 64.56 Favored 'General case' 0 N--CA 1.47 0.55 0 O-C-N 121.421 -0.799 . . . . 0.0 111.867 171.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -62.9 -23.63 67.45 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 177.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -103.19 1.22 32.8 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.375 1.47 . . . . 0.0 112.355 -175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 73.3 p -141.19 -39.96 0.4 Allowed 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.148 0.979 . . . . 0.0 113.214 -168.129 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 82.1 m-70 44.79 49.62 8.89 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 127.909 2.483 . . . . 0.0 113.872 -175.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -106.47 149.45 38.32 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 124.477 1.111 . . . . 0.0 112.833 -177.111 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -74.81 16.27 0.65 Allowed 'Trans proline' 0 CA--C 1.541 0.853 0 C-N-CA 124.501 3.467 . . . . 0.0 113.317 -179.097 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 17.7 t -106.51 -37.05 3.68 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.203 0 C-N-CA 124.307 1.043 . . . . 0.0 109.451 -166.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.6 mp -61.14 -34.73 75.46 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.657 0.783 . . . . 0.0 110.805 169.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -66.19 7.45 0.3 Allowed 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 126.652 1.981 . . . . 0.0 115.205 169.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.6 tttt -130.91 -41.94 1.13 Allowed 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 127.44 2.296 . . . . 0.0 110.982 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.5 mt -62.85 -65.37 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.462 0 C-N-CA 124.706 1.202 . . . . 0.0 110.737 174.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.11 -23.35 60.49 Favored 'General case' 0 CA--C 1.531 0.238 0 O-C-N 121.83 -0.543 . . . . 0.0 110.629 -176.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -60.54 -37.76 82.27 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.7 172.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -71.49 -48.18 50.72 Favored 'General case' 0 C--N 1.341 0.197 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 168.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -56.12 -26.72 51.09 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 119.98 1.264 . . . . 0.0 113.347 178.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -67.75 -36.17 80.07 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-O 121.567 0.699 . . . . 0.0 110.626 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -80.28 -44.06 20.25 Favored 'General case' 0 CA--C 1.516 -0.359 0 C-N-CA 125.583 1.553 . . . . 0.0 110.879 176.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -48.94 -47.94 43.26 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 126.249 1.82 . . . . 0.0 114.758 -171.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 12.9 mt -58.31 -50.82 77.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 CA-C-N 118.916 0.78 . . . . 0.0 110.127 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -69.4 -36.04 76.37 Favored 'General case' 0 CA--C 1.534 0.331 0 C-N-CA 122.957 0.503 . . . . 0.0 112.274 177.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.425 ' HB3' HD11 ' B' ' 32' ' ' ILE . 20.1 m0 -56.11 -37.88 70.0 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.199 1.399 . . . . 0.0 113.162 171.687 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.7 -43.63 75.63 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-N 120.445 1.475 . . . . 0.0 112.456 170.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -65.19 -38.21 89.79 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 125.18 1.392 . . . . 0.0 112.791 -176.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 23.5 m -49.12 -37.79 22.95 Favored 'General case' 0 CA--C 1.532 0.265 0 C-N-CA 126.049 1.739 . . . . 0.0 112.23 171.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 37.8 mm -65.76 -46.65 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.029 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.3 pp -88.35 -8.75 54.59 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -171.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 176.42 -23.18 0.05 OUTLIER Glycine 0 CA--C 1.537 1.453 0 N-CA-C 115.588 0.995 . . . . 0.0 115.588 174.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.369 0 O-C-N 120.489 -1.594 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.108 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -56.46 -27.78 57.85 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.912 1.285 . . . . 0.0 114.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.7 p90 -55.93 -35.75 66.97 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 124.451 1.1 . . . . 0.0 113.526 174.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 97.1 mt -65.56 -48.01 73.86 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 123.75 0.82 . . . . 0.0 111.022 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -54.52 -45.13 73.3 Favored 'General case' 0 N--CA 1.479 1.016 0 CA-C-N 118.565 0.62 . . . . 0.0 111.39 173.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.83 -41.47 99.34 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 178.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.6 mp -59.6 -69.17 0.22 Allowed 'General case' 0 CA--C 1.54 0.564 0 C-N-CA 125.528 1.531 . . . . 0.0 111.964 171.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.6 mp -51.89 -41.32 61.83 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.267 1.027 . . . . 0.0 113.481 -175.265 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -74.82 -42.21 58.47 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 119.214 0.916 . . . . 0.0 112.089 -178.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.54 -34.07 86.54 Favored Glycine 0 CA--C 1.522 0.528 0 C-N-CA 123.862 0.744 . . . . 0.0 114.388 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -61.87 -41.99 98.53 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.475 0.71 . . . . 0.0 111.362 170.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.42 -38.52 77.91 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.133 1.773 . . . . 0.0 111.019 -179.447 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 -61.74 -20.19 63.25 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.203 1.801 . . . . 0.0 112.443 170.019 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.16 -41.46 6.6 Favored Glycine 0 CA--C 1.53 0.971 0 C-N-CA 125.016 1.293 . . . . 0.0 112.215 171.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.5 mm -49.53 -51.32 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-N 118.697 1.249 . . . . 0.0 110.776 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -73.26 -24.52 60.46 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -172.492 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -81.22 -41.22 22.61 Favored 'General case' 0 C--O 1.232 0.134 0 C-N-CA 123.854 0.862 . . . . 0.0 112.67 172.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.1 m-85 -62.06 -35.64 79.24 Favored 'General case' 0 C--O 1.234 0.266 0 N-CA-C 113.139 0.792 . . . . 0.0 113.139 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -24.8 67.42 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.691 0.626 . . . . 0.0 112.691 178.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.2 tt0 -88.36 -36.12 16.77 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.695 1.198 . . . . 0.0 112.301 174.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -63.02 -28.44 70.1 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 126.225 1.81 . . . . 0.0 114.589 -172.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 5.7 tt -64.27 -25.05 67.88 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 119.427 1.012 . . . . 0.0 112.392 172.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -62.8 -29.28 70.59 Favored 'General case' 0 N--CA 1.477 0.894 0 CA-C-N 119.887 1.221 . . . . 0.0 112.836 175.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -106.55 3.89 27.54 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 126.63 1.972 . . . . 0.0 114.049 -176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -130.57 -35.2 1.51 Allowed 'General case' 0 N--CA 1.484 1.237 0 C-N-CA 124.664 1.185 . . . . 0.0 113.494 177.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 44.83 52.76 7.85 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 126.729 2.012 . . . . 0.0 114.245 -174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -125.72 144.06 47.08 Favored Pre-proline 0 CA--C 1.549 0.923 0 C-N-CA 124.8 1.24 . . . . 0.0 112.715 -177.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -73.29 -12.26 25.22 Favored 'Trans proline' 0 C--N 1.356 0.934 0 C-N-CA 124.138 3.225 . . . . 0.0 113.5 -178.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 52.9 t -66.32 -42.69 91.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 124.862 1.265 . . . . 0.0 112.166 177.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 7.1 mp -56.15 -36.3 68.12 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-N 119.384 0.993 . . . . 0.0 111.838 170.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.96 2.51 6.76 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.279 1.585 . . . . 0.0 115.279 173.012 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 40.0 mttp -99.27 -45.77 5.76 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.048 1.339 . . . . 0.0 112.169 154.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' A' ' 42' ' ' TRP . 2.3 mp -56.98 -64.01 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 CA-C-N 118.6 0.636 . . . . 0.0 110.318 -178.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.8 pp -67.97 -25.21 65.32 Favored 'General case' 0 N--CA 1.465 0.296 0 N-CA-C 112.086 0.402 . . . . 0.0 112.086 -176.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -65.3 -36.97 85.7 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.057 0.392 . . . . 0.0 112.057 171.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.595 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 68.2 m-20 -76.57 -40.71 48.84 Favored 'General case' 0 C--N 1.34 0.169 0 N-CA-C 114.254 1.205 . . . . 0.0 114.254 174.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 53.1 mm-40 -57.22 -27.17 61.77 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 120.031 1.287 . . . . 0.0 113.116 174.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.96 -32.08 72.27 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 123.186 0.594 . . . . 0.0 111.443 177.463 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.595 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.8 mtmt -80.86 -45.67 16.49 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.084 1.353 . . . . 0.0 111.345 173.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -48.74 -44.47 38.5 Favored 'General case' 0 CA--C 1.533 0.325 0 C-N-CA 126.447 1.899 . . . . 0.0 114.915 -171.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 72.4 mt -62.94 -48.78 86.37 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.704 0 C-N-CA 123.064 0.546 . . . . 0.0 111.128 -179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -74.06 -32.44 63.3 Favored 'General case' 0 N--CA 1.467 0.411 0 O-C-N 121.771 -0.581 . . . . 0.0 112.539 176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.7 m0 -55.61 -46.74 77.28 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 124.711 1.204 . . . . 0.0 112.747 170.104 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.05 -22.0 39.63 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.72 1.007 . . . . 0.0 113.72 -179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -80.33 -32.32 37.93 Favored 'General case' 0 CA--C 1.544 0.733 0 O-C-N 121.402 -0.811 . . . . 0.0 112.907 172.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.6 m -59.42 -25.12 64.06 Favored 'General case' 0 N--CA 1.482 1.149 0 O-C-N 120.921 -1.112 . . . . 0.0 112.47 178.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 29.8 mt -50.37 -34.17 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.833 0 C-N-CA 125.559 1.543 . . . . 0.0 112.338 171.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 51.0 mt -83.73 -12.53 55.66 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.73 17.11 0.02 OUTLIER Glycine 0 CA--C 1.538 1.489 0 N-CA-C 117.108 1.603 . . . . 0.0 117.108 -178.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.371 0 O-C-N 120.025 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.001 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.1 p30 -108.09 -44.34 4.19 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 126.859 2.064 . . . . 0.0 114.237 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -57.1 -35.47 69.47 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.93 0.892 . . . . 0.0 113.21 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 63.6 mt -62.15 -43.54 98.62 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 124.092 0.957 . . . . 0.0 110.703 -167.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 ttt180 -63.54 -43.79 96.09 Favored 'General case' 0 N--CA 1.467 0.413 0 C-N-CA 124.07 0.948 . . . . 0.0 111.792 173.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -62.8 -38.39 90.5 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.167 0.44 . . . . 0.0 112.045 178.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -58.33 -55.79 30.41 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 126.473 1.909 . . . . 0.0 112.604 176.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.2 mp -64.0 -46.44 84.52 Favored 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.601 0.963 . . . . 0.0 113.601 175.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 66.3 mmtt -71.01 -5.59 32.37 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 -167.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.65 -35.35 3.55 Favored Glycine 0 N--CA 1.443 -0.881 0 C-N-CA 126.367 1.937 . . . . 0.0 117.167 167.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -64.45 -29.42 70.47 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 118.926 1.363 . . . . 0.0 113.559 177.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -28.57 65.23 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 120.325 1.42 . . . . 0.0 111.368 178.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -63.57 -21.48 66.37 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 125.983 1.713 . . . . 0.0 112.464 178.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.89 -35.95 12.15 Favored Glycine 0 C--N 1.338 0.649 0 CA-C-O 118.855 -0.969 . . . . 0.0 111.597 177.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mm -54.49 -47.96 70.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 CA-C-N 118.677 1.238 . . . . 0.0 111.21 -177.119 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 ptmt -69.3 -28.63 66.44 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 -176.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -83.24 -38.71 21.85 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.016 0.926 . . . . 0.0 112.412 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.7 m-85 -61.1 -42.25 98.17 Favored 'General case' 0 C--O 1.233 0.207 0 C-N-CA 123.871 0.868 . . . . 0.0 113.026 173.185 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -22.45 66.87 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 113.083 0.772 . . . . 0.0 113.083 179.02 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.24 -25.59 42.58 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.049 1.74 . . . . 0.0 113.343 172.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.59 -31.38 19.88 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 -166.34 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.74 -27.9 65.37 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 120.32 1.418 . . . . 0.0 111.417 174.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.58 -23.94 29.89 Favored 'General case' 0 N--CA 1.474 0.754 0 N-CA-C 114.378 1.251 . . . . 0.0 114.378 173.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -116.69 -22.22 8.72 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.883 1.673 . . . . 0.0 112.98 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 36.5 p -105.15 -22.61 13.05 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.7 m-70 35.02 49.86 0.43 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 127.414 2.286 . . . . 0.0 115.514 176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -123.76 152.09 65.27 Favored Pre-proline 0 CA--C 1.544 0.726 0 C-N-CA 124.267 1.027 . . . . 0.0 113.181 -176.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 76.9 Cg_endo -69.68 -11.73 31.57 Favored 'Trans proline' 0 C--N 1.352 0.757 0 C-N-CA 123.581 2.854 . . . . 0.0 113.04 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.459 ' O ' HD12 ' A' ' 32' ' ' ILE . 0.3 OUTLIER -64.08 -41.79 93.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.513 0 C-N-CA 123.717 0.807 . . . . 0.0 112.039 -178.834 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.8 mp -67.11 -29.02 68.65 Favored 'General case' 0 CA--C 1.541 0.598 0 O-C-N 120.891 -1.131 . . . . 0.0 111.408 -179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.31 5.61 1.25 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 125.295 1.438 . . . . 0.0 114.122 167.423 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.6 mtpt -121.83 -44.68 2.3 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 126.586 1.954 . . . . 0.0 112.063 166.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.459 HD12 ' O ' ' A' ' 28' ' ' VAL . 3.9 mp -61.05 -70.2 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.956 0 CA-C-N 119.861 1.209 . . . . 0.0 110.606 179.021 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.11 -25.04 66.81 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 118.047 0.385 . . . . 0.0 111.156 -176.426 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -63.84 -36.86 85.29 Favored 'General case' 0 CA--C 1.539 0.549 0 CA-C-O 119.54 -0.267 . . . . 0.0 111.623 174.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -72.23 -45.52 59.88 Favored 'General case' 0 C--O 1.234 0.244 0 O-C-N 121.437 -0.789 . . . . 0.0 112.469 172.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mm-40 -55.09 -24.56 26.13 Favored 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.264 0.838 . . . . 0.0 113.264 176.259 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -69.43 -31.16 69.32 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.323 0.649 . . . . 0.0 112.119 179.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.7 -43.32 15.66 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 118.258 -0.877 . . . . 0.0 111.58 169.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.9 m170 -46.74 -48.03 20.52 Favored 'General case' 0 CA--C 1.53 0.179 0 C-N-CA 125.336 1.455 . . . . 0.0 114.455 -165.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 55.3 mt -63.57 -40.62 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 122.555 0.342 . . . . 0.0 111.261 -176.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -71.32 -39.55 71.32 Favored 'General case' 0 N--CA 1.467 0.422 0 C-N-CA 123.79 0.836 . . . . 0.0 112.302 170.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -50.57 -46.79 57.94 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 125.502 1.521 . . . . 0.0 113.866 174.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.11 15.77 4.84 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 173.471 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -118.15 -41.12 2.89 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.65 1.58 . . . . 0.0 112.202 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.8 m -48.31 -35.65 12.72 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.604 1.562 . . . . 0.0 112.219 170.154 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.8 mm -57.73 -49.84 79.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.984 1.313 . . . . 0.0 112.946 176.649 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.1 pp -69.54 -23.2 63.55 Favored 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -165.625 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 162.2 -18.55 0.17 Allowed Glycine 0 CA--C 1.537 1.441 0 C-N-CA 125.51 1.528 . . . . 0.0 114.097 173.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.79 -27.03 59.08 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.642 1.177 . . . . 0.0 114.16 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 31.3 p90 -56.98 -35.46 69.2 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.69 1.196 . . . . 0.0 113.523 174.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 83.3 mt -62.98 -48.89 76.9 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 124.062 0.945 . . . . 0.0 110.371 174.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttt180 -56.61 -44.11 80.83 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 118.089 0.404 . . . . 0.0 111.322 175.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -61.95 -42.22 98.87 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.563 0.745 . . . . 0.0 112.272 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.4 mp -58.53 -64.87 0.77 Allowed 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 126.229 1.811 . . . . 0.0 112.199 170.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.8 -43.91 81.4 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.123 1.369 . . . . 0.0 112.594 -174.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -70.26 -37.42 74.89 Favored 'General case' 0 N--CA 1.468 0.451 0 O-C-N 121.282 -0.886 . . . . 0.0 112.434 177.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -72.4 -33.86 61.05 Favored Glycine 0 CA--C 1.523 0.545 0 C-N-CA 123.978 0.799 . . . . 0.0 114.638 -176.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -56.64 -42.49 78.99 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.864 0.866 . . . . 0.0 111.277 168.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -35.83 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.213 1.405 . . . . 0.0 111.545 179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -66.83 -16.38 64.25 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.935 1.694 . . . . 0.0 112.616 176.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -97.98 -40.76 3.46 Favored Glycine 0 CA--C 1.534 1.251 0 C-N-CA 124.94 1.257 . . . . 0.0 113.241 170.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 97.9 mt -50.09 -50.35 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.49 0 CA-C-N 119.147 1.473 . . . . 0.0 110.847 -179.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -73.33 -22.02 60.42 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.012 1.325 . . . . 0.0 114.259 -174.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.63 -38.37 23.62 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.495 1.118 . . . . 0.0 112.305 173.584 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -59.85 -33.67 72.1 Favored 'General case' 0 C--O 1.233 0.216 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 5.1 ttm-85 -68.53 -25.67 65.05 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.67 0.619 . . . . 0.0 112.67 178.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 21.0 tt0 -78.25 -34.5 49.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 125.002 1.321 . . . . 0.0 112.673 177.104 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.01 -26.66 65.12 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 126.519 1.928 . . . . 0.0 113.935 -170.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . 0.444 HD22 ' HA ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -59.38 -24.6 63.56 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 118.427 0.558 . . . . 0.0 112.353 175.558 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -61.22 -24.38 66.31 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 112.838 0.681 . . . . 0.0 112.838 175.302 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -108.78 -36.4 6.15 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 125.248 1.419 . . . . 0.0 113.461 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 19.1 p -75.4 -32.26 60.7 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 120.0 1.273 . . . . 0.0 112.571 175.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.444 ' HA ' HD22 ' B' ' 21' ' ' LEU 0.306 12.1 m-70 48.33 19.06 0.19 Allowed 'General case' 0 CA--C 1.581 2.14 0 C-N-CA 127.048 2.139 . . . . 0.0 115.884 -165.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -98.02 158.45 32.81 Favored Pre-proline 0 N--CA 1.495 1.817 0 N-CA-C 117.929 2.566 . . . . 0.0 117.929 -168.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -74.92 -11.88 21.66 Favored 'Trans proline' 0 C--N 1.359 1.124 0 C-N-CA 124.894 3.729 . . . . 0.0 114.441 170.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.1 p -61.58 -34.09 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 O-C-N 120.785 -1.197 . . . . 0.0 113.436 -176.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 85.5 mt -65.23 -29.37 70.16 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.743 0.817 . . . . 0.0 110.609 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.14 10.8 0.67 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 125.26 1.424 . . . . 0.0 114.373 168.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 15.8 tptt -125.08 -48.39 1.74 Allowed 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 126.306 1.842 . . . . 0.0 110.982 165.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 27.2 mt -61.78 -70.08 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 123.848 0.859 . . . . 0.0 110.832 179.658 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -28.19 68.12 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 118.07 0.395 . . . . 0.0 111.254 -179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.8 -39.81 78.45 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 118.577 -0.725 . . . . 0.0 111.912 172.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -75.75 -46.17 32.34 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 120.004 1.275 . . . . 0.0 113.513 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -55.32 -25.82 36.89 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 118.635 0.652 . . . . 0.0 112.381 175.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -64.22 -29.83 70.92 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.055 0.942 . . . . 0.0 111.873 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.24 -44.69 10.08 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.382 1.073 . . . . 0.0 111.915 173.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -46.01 -46.87 16.8 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 125.8 1.64 . . . . 0.0 115.089 -164.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 70.1 mt -59.15 -50.67 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 CA-C-N 118.385 0.538 . . . . 0.0 111.06 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -70.5 -34.64 72.56 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 112.949 0.722 . . . . 0.0 112.949 176.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . 0.424 ' HB3' HD11 ' A' ' 32' ' ' ILE . 12.5 m0 -52.33 -48.86 65.23 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 119.492 1.042 . . . . 0.0 112.215 169.56 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.2 mt -62.96 -46.92 85.45 Favored 'General case' 0 N--CA 1.472 0.657 0 CA-C-N 119.039 0.836 . . . . 0.0 111.315 174.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -66.59 -34.94 79.01 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 114.166 1.172 . . . . 0.0 114.166 -175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -60.75 -24.98 66.15 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.2 1.0 . . . . 0.0 112.727 177.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 16.4 mm -70.08 -38.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 O-C-N 120.956 -1.09 . . . . 0.0 111.939 174.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.6 mt -73.68 -20.42 60.56 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.649 1.18 . . . . 0.0 113.654 -171.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -174.78 22.43 0.06 OUTLIER Glycine 0 CA--C 1.537 1.418 0 N-CA-C 116.192 1.237 . . . . 0.0 116.192 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 120.195 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -147.58 -33.04 0.27 Allowed 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.712 1.205 . . . . 0.0 113.798 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 27.2 p90 -54.83 -32.88 61.03 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 125.212 1.405 . . . . 0.0 114.322 -177.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.2 mt -65.65 -45.88 81.27 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.145 1.378 . . . . 0.0 112.461 178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.5 ttt180 -64.56 -43.23 94.57 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 122.624 0.37 . . . . 0.0 110.425 174.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.8 tp10 -57.58 -40.65 79.49 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 173.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tp -58.24 -59.14 5.78 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 125.721 1.608 . . . . 0.0 112.525 177.173 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.37 -34.03 63.23 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.958 -0.544 . . . . 0.0 112.271 -174.709 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -59.8 -35.5 74.81 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.979 0.808 . . . . 0.0 111.814 172.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -88.22 -21.65 44.44 Favored Glycine 0 C--N 1.335 0.505 0 C-N-CA 125.188 1.375 . . . . 0.0 116.224 -175.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -76.59 -26.3 54.88 Favored 'General case' 0 N--CA 1.475 0.812 0 CA-C-N 118.241 1.021 . . . . 0.0 113.127 168.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 tp -70.63 -27.04 63.76 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 120.879 1.672 . . . . 0.0 111.303 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -55.22 -28.21 51.51 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 128.411 2.684 . . . . 0.0 111.918 173.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -98.56 -35.04 5.06 Favored Glycine 0 C--N 1.339 0.742 0 CA-C-O 118.917 -0.935 . . . . 0.0 112.932 -175.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 71.9 mt -60.01 -48.42 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-N 118.704 1.252 . . . . 0.0 110.942 -173.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.3 tttt -73.42 -26.68 61.06 Favored 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -170.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -76.9 -39.62 50.26 Favored 'General case' 0 CA--C 1.529 0.152 0 C-N-CA 123.883 0.873 . . . . 0.0 113.154 177.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -58.78 -32.47 69.33 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 112.944 0.72 . . . . 0.0 112.944 177.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.2 ttp180 -71.8 -14.64 62.04 Favored 'General case' 0 CA--C 1.537 0.446 0 N-CA-C 113.1 0.778 . . . . 0.0 113.1 -179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -76.33 -34.47 58.99 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 113.483 0.92 . . . . 0.0 113.483 167.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.79 -19.5 58.93 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.584 1.328 . . . . 0.0 114.584 -157.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.1 tt -63.17 -20.49 65.45 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 123.795 0.838 . . . . 0.0 111.561 173.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -62.92 -29.52 70.85 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 114.261 1.208 . . . . 0.0 114.261 173.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 75.6 m-85 -104.88 -35.03 7.85 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.863 0.865 . . . . 0.0 113.199 177.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 72.9 p -86.11 -31.36 21.91 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 56.1 m-70 40.97 41.0 1.13 Allowed 'General case' 0 CA--C 1.553 1.086 0 C-N-CA 125.956 1.703 . . . . 0.0 114.425 -172.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -111.79 150.54 42.44 Favored Pre-proline 0 N--CA 1.476 0.838 0 C-N-CA 124.622 1.169 . . . . 0.0 113.398 -172.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_endo -75.51 1.2 8.24 Favored 'Trans proline' 0 CA--C 1.541 0.855 0 C-N-CA 124.278 3.319 . . . . 0.0 113.739 175.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.9 t -86.29 -31.46 6.39 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.25 0 O-C-N 120.839 -1.163 . . . . 0.0 110.669 -173.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 91.8 mt -61.71 -34.52 75.92 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.799 -1.188 . . . . 0.0 111.965 168.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.66 7.24 0.9 Allowed 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 125.711 1.604 . . . . 0.0 114.439 169.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -121.14 -42.38 2.48 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 127.067 2.147 . . . . 0.0 111.619 166.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 47.2 mt -64.62 -66.74 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 C-N-CA 123.641 0.777 . . . . 0.0 110.93 -177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.42 -22.87 60.11 Favored 'General case' 0 N--CA 1.468 0.465 0 O-C-N 121.704 -0.622 . . . . 0.0 111.616 -178.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -54.54 -41.94 70.32 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 123.119 0.567 . . . . 0.0 110.211 167.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.509 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 85.0 m-20 -75.53 -46.18 33.69 Favored 'General case' 0 CA--C 1.528 0.096 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 171.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -56.75 -25.19 54.34 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-N 120.631 1.559 . . . . 0.0 113.258 177.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -70.58 -30.48 67.19 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.496 0.719 . . . . 0.0 111.813 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 33.0 mtmt -83.91 -41.2 17.65 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 125.851 1.66 . . . . 0.0 111.77 173.477 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 13.8 m170 -51.07 -45.66 61.5 Favored 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 126.152 1.781 . . . . 0.0 115.189 -170.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 60.6 mt -58.11 -50.02 79.6 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.06 0 CA-C-N 118.423 0.556 . . . . 0.0 111.741 176.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -71.1 -32.8 69.51 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 118.345 0.521 . . . . 0.0 112.016 177.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.6 m0 -58.51 -33.87 70.32 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.4 pp -93.96 -8.13 40.93 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 115.073 1.509 . . . . 0.0 115.073 172.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.84 -37.04 12.51 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.728 1.211 . . . . 0.0 112.486 173.702 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 55.2 m -51.52 -38.9 56.36 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.751 1.22 . . . . 0.0 111.717 177.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mm -64.14 -33.97 65.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 124.77 1.228 . . . . 0.0 113.023 179.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 27.7 mt -77.78 -12.24 59.96 Favored 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 114.268 1.21 . . . . 0.0 114.268 -167.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.11 -18.66 0.15 Allowed Glycine 0 CA--C 1.537 1.409 0 C-N-CA 124.587 1.089 . . . . 0.0 114.792 176.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 O-C-N 120.576 -1.543 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -54.26 -28.51 42.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 125.203 1.401 . . . . 0.0 113.94 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -53.0 -43.0 66.13 Favored 'General case' 0 C--O 1.223 -0.329 0 C-N-CA 124.926 1.29 . . . . 0.0 112.567 175.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.11 -39.4 89.92 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 124.134 0.973 . . . . 0.0 111.931 -173.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -61.79 -45.83 92.18 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.502 1.121 . . . . 0.0 111.228 170.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -66.4 -40.55 89.68 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 123.149 0.579 . . . . 0.0 112.105 -179.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -56.63 -56.49 20.69 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 127.079 2.152 . . . . 0.0 112.466 175.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 29.4 tp -63.98 -51.57 63.68 Favored 'General case' 0 CA--C 1.554 1.106 0 C-N-CA 125.816 1.646 . . . . 0.0 112.617 -179.072 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 12.1 ttpp -89.63 68.76 7.72 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 125.274 1.43 . . . . 0.0 113.592 -162.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 158.46 -13.41 0.24 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 116.893 1.517 . . . . 0.0 116.893 -176.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -56.59 -33.83 66.6 Favored 'General case' 0 CA--C 1.551 1.005 0 O-C-N 121.614 -0.933 . . . . 0.0 111.648 171.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.424 ' CD2' ' H ' ' B' ' 11' ' ' LEU . 1.5 pt? -81.49 -11.71 59.11 Favored 'General case' 0 N--CA 1.464 0.252 0 C-N-CA 128.994 2.918 . . . . 0.0 116.899 169.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -68.33 -17.51 64.28 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 118.847 0.749 . . . . 0.0 110.615 156.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.25 -57.17 1.81 Allowed Glycine 0 CA--C 1.532 1.135 0 C-N-CA 125.0 1.286 . . . . 0.0 112.411 165.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 43.5 mt -50.38 -50.59 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.555 0 CA-C-N 119.248 1.524 . . . . 0.0 111.559 -175.395 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -69.1 -31.85 70.86 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.905 0.705 . . . . 0.0 112.905 -175.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.8 mt-30 -76.97 -38.33 53.42 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 124.062 0.945 . . . . 0.0 113.09 176.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -58.02 -41.11 82.45 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 123.582 0.753 . . . . 0.0 112.364 172.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -26.77 66.85 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 123.767 0.827 . . . . 0.0 112.575 178.037 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 10.7 tt0 -95.27 -32.09 13.16 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.512 1.925 . . . . 0.0 112.817 -179.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.24 -33.31 75.51 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 126.546 1.938 . . . . 0.0 113.031 -178.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 tt -55.67 -24.04 31.7 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 124.545 1.138 . . . . 0.0 112.517 173.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.73 -22.98 66.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 114.066 1.135 . . . . 0.0 114.066 174.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -104.12 -40.43 6.17 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.928 1.291 . . . . 0.0 113.352 171.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 82.7 p -84.21 -24.06 30.24 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.234 1.198 . . . . 0.0 114.234 -175.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 41.9 m-70 43.96 38.11 2.05 Favored 'General case' 0 CA--C 1.556 1.208 0 C-N-CA 127.416 2.286 . . . . 0.0 115.946 176.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -118.2 152.24 50.33 Favored Pre-proline 0 N--CA 1.479 1.018 0 N-CA-C 115.293 1.59 . . . . 0.0 115.293 -169.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -74.27 -13.76 23.11 Favored 'Trans proline' 0 C--N 1.356 0.937 0 C-N-CA 123.95 3.1 . . . . 0.0 113.447 177.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.5 p -61.42 -32.54 53.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.906 0 C-N-CA 124.299 1.039 . . . . 0.0 113.096 179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -65.41 -28.05 68.98 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.701 -0.624 . . . . 0.0 112.078 174.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.25 7.02 1.9 Allowed 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 124.497 1.119 . . . . 0.0 113.796 168.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 86.9 mttt -115.53 -48.4 2.78 Favored 'General case' 0 N--CA 1.465 0.309 0 C-N-CA 126.967 2.107 . . . . 0.0 110.531 162.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 74.2 mt -62.38 -67.39 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 123.999 0.92 . . . . 0.0 110.813 -176.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.46 -26.65 65.61 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 118.457 0.571 . . . . 0.0 111.804 179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.52 -36.86 79.4 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 111.919 0.34 . . . . 0.0 111.919 171.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.539 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 78.0 m-20 -77.23 -41.62 40.51 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 173.299 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -56.74 -26.7 57.88 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.29 1.404 . . . . 0.0 112.899 175.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -69.07 -31.37 70.06 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 123.544 0.738 . . . . 0.0 111.549 177.469 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.539 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 50.9 mtmt -79.62 -44.61 20.66 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 125.009 1.324 . . . . 0.0 111.505 170.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -50.86 -43.83 59.42 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 126.36 1.864 . . . . 0.0 114.866 -170.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 68.8 mt -60.07 -52.77 57.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 118.106 0.412 . . . . 0.0 111.041 177.19 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -71.24 -32.94 69.37 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.405 -0.809 . . . . 0.0 112.049 -179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -55.24 -44.26 75.34 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.338 1.455 . . . . 0.0 113.719 170.298 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.0 -32.46 51.17 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 120.305 1.411 . . . . 0.0 113.126 174.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -68.51 -37.55 80.14 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 118.887 0.767 . . . . 0.0 112.962 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 15.4 m -55.72 -31.19 62.27 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 124.101 0.96 . . . . 0.0 113.143 178.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 20.6 mm -65.17 -31.08 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 124.105 0.962 . . . . 0.0 112.474 177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -85.8 -15.93 40.41 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.251 1.02 . . . . 0.0 113.72 -167.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 140.34 -16.37 2.94 Favored Glycine 0 CA--C 1.536 1.406 0 C-N-CA 125.38 1.467 . . . . 0.0 114.396 177.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.354 0 O-C-N 120.653 -1.498 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -134.73 -26.69 1.35 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.789 1.236 . . . . 0.0 113.458 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -53.39 -37.93 62.93 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.023 1.329 . . . . 0.0 112.912 178.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 83.9 mt -60.37 -44.62 95.43 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.046 1.338 . . . . 0.0 111.542 -173.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 45.3 ttt85 -73.01 -35.0 66.73 Favored 'General case' 0 C--O 1.219 -0.522 0 CA-C-O 117.799 -1.096 . . . . 0.0 111.811 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -61.45 -34.4 75.36 Favored 'General case' 0 CA--C 1.551 1.0 0 CA-C-N 120.709 1.595 . . . . 0.0 112.613 172.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.8 -60.88 2.43 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 127.463 2.305 . . . . 0.0 112.032 173.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -65.21 -42.28 93.66 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 114.186 1.18 . . . . 0.0 114.186 178.454 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 43.1 tttm -73.15 40.19 0.1 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 125.188 1.395 . . . . 0.0 113.351 173.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -158.63 -31.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 N-CA-C 118.312 2.085 . . . . 0.0 118.312 168.178 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -71.22 -25.01 62.32 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.323 1.561 . . . . 0.0 113.364 176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.64 -30.58 68.31 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 120.411 1.46 . . . . 0.0 111.858 175.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -67.94 -11.29 58.49 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 127.002 2.121 . . . . 0.0 113.31 178.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -90.24 -36.7 6.95 Favored Glycine 0 CA--C 1.528 0.876 0 C-N-CA 124.138 0.875 . . . . 0.0 112.274 170.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.4 mm -54.01 -43.96 60.56 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 CA-C-N 118.508 1.154 . . . . 0.0 112.066 -173.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.2 tttt -83.44 -12.8 55.97 Favored 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 114.145 1.165 . . . . 0.0 114.145 -167.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -89.52 -38.03 14.3 Favored 'General case' 0 CA--C 1.533 0.29 0 C-N-CA 124.954 1.302 . . . . 0.0 111.823 169.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -59.89 -37.76 80.3 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 113.391 0.886 . . . . 0.0 113.391 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -65.86 -30.87 71.55 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 177.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -74.21 -33.18 63.3 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.916 1.287 . . . . 0.0 113.184 174.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.53 -33.05 68.84 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.635 1.174 . . . . 0.0 113.797 -171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.45 -26.15 60.77 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.4 0.68 . . . . 0.0 111.981 174.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.19 -25.98 67.95 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.941 1.089 . . . . 0.0 113.941 176.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -97.01 -30.75 12.89 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.52 0.728 . . . . 0.0 112.895 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.9 p -97.49 -27.8 14.27 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -173.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 42.8 m-70 33.1 48.71 0.16 Allowed 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 127.75 2.42 . . . . 0.0 113.681 -170.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -114.91 144.84 32.77 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 124.8 1.24 . . . . 0.0 111.761 -168.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.5 Cg_endo -71.31 -4.58 15.23 Favored 'Trans proline' 0 CA--C 1.539 0.744 0 C-N-CA 123.863 3.042 . . . . 0.0 113.547 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -75.42 -33.11 26.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.276 0 C-N-CA 124.562 1.145 . . . . 0.0 111.347 -176.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 5.5 mp -69.13 -28.37 66.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.974 -1.079 . . . . 0.0 111.853 177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.01 7.65 0.9 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 125.85 1.66 . . . . 0.0 114.277 165.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -121.0 -42.92 2.47 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 126.655 1.982 . . . . 0.0 111.749 160.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.4 mt -62.49 -64.96 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 C-N-CA 123.377 0.671 . . . . 0.0 111.407 -174.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -75.09 -24.03 58.08 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-N 118.731 0.696 . . . . 0.0 110.252 179.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.15 -26.2 67.53 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.436 0.695 . . . . 0.0 111.502 171.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -83.89 -45.74 12.9 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 114.002 1.112 . . . . 0.0 114.002 166.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -57.65 -25.42 60.16 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 120.54 -1.35 . . . . 0.0 113.819 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -69.92 -28.17 65.38 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.769 -0.582 . . . . 0.0 111.347 -178.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.0 pttm -94.98 -28.41 15.16 Favored 'General case' 0 N--CA 1.467 0.39 0 C-N-CA 125.818 1.647 . . . . 0.0 113.034 175.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -56.37 -47.9 77.96 Favored 'General case' 0 CA--C 1.534 0.364 0 N-CA-C 115.571 1.693 . . . . 0.0 115.571 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 40.4 mt -61.05 -42.18 92.09 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.93 0 C-N-CA 122.961 0.504 . . . . 0.0 110.643 -175.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -73.26 -40.44 64.61 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 118.978 -0.534 . . . . 0.0 111.681 173.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 11.8 m0 -50.58 -36.1 33.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.395 1.258 . . . . 0.0 114.395 173.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.9 pp -92.85 -0.67 57.2 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 176.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -98.99 -33.85 10.66 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 125.029 1.331 . . . . 0.0 111.978 167.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 24.2 m -48.5 -33.1 8.89 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.102 1.761 . . . . 0.0 112.815 170.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.2 mt -53.3 -44.21 53.1 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 125.073 1.349 . . . . 0.0 111.833 172.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 63.4 mt -74.58 -29.65 61.41 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 125.093 1.357 . . . . 0.0 113.259 -177.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 166.12 174.57 35.68 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.314 0.959 . . . . 0.0 113.806 176.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.416 0 O-C-N 120.955 -1.32 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.141 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -53.95 -28.57 38.09 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.646 1.178 . . . . 0.0 114.049 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -52.94 -38.88 62.43 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 125.389 1.476 . . . . 0.0 113.33 175.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 29.8 mt -62.87 -46.27 88.65 Favored 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 124.75 1.22 . . . . 0.0 110.764 -174.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -57.53 -44.02 84.78 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 123.92 0.888 . . . . 0.0 111.446 173.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -67.13 -35.57 80.02 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.82 0.848 . . . . 0.0 112.324 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -65.82 -57.83 7.04 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.529 1.932 . . . . 0.0 112.308 175.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.49 -46.41 83.75 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.862 0.865 . . . . 0.0 113.008 177.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -77.66 75.58 4.2 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 125.148 1.379 . . . . 0.0 112.433 -174.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 163.57 -37.67 0.32 Allowed Glycine 0 CA--C 1.52 0.405 0 C-N-CA 125.031 1.301 . . . . 0.0 114.968 178.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -64.16 -35.2 80.02 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.884 -0.774 . . . . 0.0 110.827 173.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 tp -65.95 -40.11 91.04 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.191 2.196 . . . . 0.0 111.272 176.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -63.76 -25.17 68.07 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 125.342 1.457 . . . . 0.0 111.414 172.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -77.61 -43.49 15.02 Favored Glycine 0 CA--C 1.53 0.984 0 C-N-CA 125.55 1.547 . . . . 0.0 112.388 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 51.0 mm -50.34 -48.07 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 CA-C-N 119.245 1.523 . . . . 0.0 110.821 176.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt -69.15 -34.05 74.39 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 124.269 1.028 . . . . 0.0 113.635 -176.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 mm100 -76.16 -43.55 42.24 Favored 'General case' 0 C--O 1.233 0.186 0 C-N-CA 124.855 1.262 . . . . 0.0 111.963 178.262 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.1 m-85 -61.12 -32.35 72.04 Favored 'General case' 0 N--CA 1.452 -0.347 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtt-85 -70.78 -22.24 62.4 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 119.734 -0.786 . . . . 0.0 113.116 178.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -90.58 -32.01 16.46 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 123.929 0.892 . . . . 0.0 112.425 175.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -59.06 -33.76 71.17 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.064 1.745 . . . . 0.0 113.778 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.23 -25.52 68.37 Favored 'General case' 0 N--CA 1.477 0.903 0 CA-C-N 119.704 1.138 . . . . 0.0 112.322 172.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -67.03 -26.64 66.87 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 119.25 0.932 . . . . 0.0 112.83 178.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.55 -51.68 5.28 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.465 1.106 . . . . 0.0 112.854 167.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 68.3 p -79.53 -22.93 43.28 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 -168.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 39.4 m-70 43.2 42.09 3.27 Favored 'General case' 0 CA--C 1.556 1.211 0 C-N-CA 127.361 2.265 . . . . 0.0 115.397 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -119.22 149.35 47.07 Favored Pre-proline 0 CA--C 1.554 1.11 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -167.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -77.48 4.54 5.87 Favored 'Trans proline' 0 CA--C 1.544 1.023 0 C-N-CA 125.194 3.93 . . . . 0.0 114.004 179.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 4.0 t -87.13 -29.87 5.74 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 125.692 1.597 . . . . 0.0 112.129 -176.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -65.32 -31.58 72.79 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 120.851 -1.156 . . . . 0.0 111.276 173.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.95 6.32 0.18 Allowed 'General case' 0 CA--C 1.554 1.125 0 C-N-CA 126.056 1.742 . . . . 0.0 114.958 166.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 55.9 mttp -123.81 -45.71 2.01 Favored 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 127.145 2.178 . . . . 0.0 110.845 167.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 28.3 mt -61.4 -67.41 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 124.067 0.947 . . . . 0.0 110.933 179.164 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.92 -26.95 66.23 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-N 118.485 0.584 . . . . 0.0 111.686 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -61.21 -36.61 80.36 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.152 0.427 . . . . 0.0 112.152 173.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.502 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 82.6 m-20 -76.38 -43.59 39.96 Favored 'General case' 0 C--N 1.341 0.23 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.5 mm-40 -56.67 -24.35 48.08 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 119.384 0.993 . . . . 0.0 113.084 176.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -69.01 -33.32 73.45 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 123.403 0.681 . . . . 0.0 111.793 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.502 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.4 mtmt -81.05 -43.81 18.96 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.526 1.53 . . . . 0.0 111.362 174.017 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -49.65 -47.47 49.92 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 125.981 1.713 . . . . 0.0 114.86 -172.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 85.0 mt -64.06 -33.13 60.33 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.537 0 C-N-CA 123.093 0.557 . . . . 0.0 111.195 -174.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -85.64 -36.01 20.58 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.62 0.768 . . . . 0.0 112.192 171.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.9 m0 -52.36 -44.45 65.25 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.454 1.102 . . . . 0.0 113.47 171.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -82.16 -10.37 59.19 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.388 1.255 . . . . 0.0 114.388 177.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -90.09 -37.33 14.32 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.86 1.264 . . . . 0.0 111.602 173.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 96.8 m -59.14 -26.22 64.54 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.751 1.62 . . . . 0.0 113.279 -177.596 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 32.1 mt -55.26 -32.74 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 124.968 1.307 . . . . 0.0 111.82 174.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 45.8 mt -77.1 -17.94 58.32 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 125.333 1.453 . . . . 0.0 113.512 -175.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 161.24 164.33 15.91 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.669 1.128 . . . . 0.0 114.114 176.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.437 0 O-C-N 120.759 -1.436 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.004 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -135.09 -23.71 1.49 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.853 1.261 . . . . 0.0 113.655 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -55.3 -39.75 70.27 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 124.83 1.252 . . . . 0.0 113.288 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.3 mt -64.83 -42.61 94.79 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.998 0.519 . . . . 0.0 111.544 -169.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -64.74 -40.61 95.6 Favored 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 123.952 0.901 . . . . 0.0 111.573 170.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -67.82 -31.99 72.23 Favored 'General case' 0 CA--C 1.55 0.956 0 CA-C-N 119.632 1.105 . . . . 0.0 113.148 178.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.39 -57.35 9.55 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 127.318 2.247 . . . . 0.0 111.625 169.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 68.9 mt -62.19 -47.99 82.0 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 125.179 1.392 . . . . 0.0 113.039 179.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -74.5 51.14 0.44 Allowed 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.189 1.796 . . . . 0.0 112.795 176.165 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.83 -28.49 0.03 OUTLIER Glycine 0 CA--C 1.512 -0.114 0 N-CA-C 118.837 2.295 . . . . 0.0 118.837 164.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.808 ' HB2' HD11 ' A' ' 40' ' ' ILE . 6.3 mt-10 -61.19 -33.15 73.0 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 119.161 1.481 . . . . 0.0 111.78 171.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.09 -27.57 69.19 Favored 'General case' 0 CA--C 1.543 0.708 0 N-CA-C 114.053 1.131 . . . . 0.0 114.053 178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -68.03 -22.31 64.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 126.059 1.744 . . . . 0.0 112.21 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -88.78 -39.34 6.62 Favored Glycine 0 CA--C 1.528 0.866 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.449 175.007 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 96.8 mt -52.77 -42.93 43.69 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 CA-C-N 118.399 1.099 . . . . 0.0 111.269 -177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -10.77 59.1 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 116.08 1.881 . . . . 0.0 116.08 -174.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -91.07 -36.77 13.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.787 0.835 . . . . 0.0 110.884 172.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.425 ' CZ ' HG21 ' A' ' 32' ' ' ILE . 14.8 m-85 -58.41 -43.22 88.52 Favored 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.336 0.865 . . . . 0.0 113.336 178.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.7 ttt180 -66.67 -30.5 70.77 Favored 'General case' 0 N--CA 1.472 0.63 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 178.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -75.6 -31.97 60.14 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.661 1.184 . . . . 0.0 112.932 174.669 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.71 -30.96 63.16 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 124.924 1.29 . . . . 0.0 113.09 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -51.5 -26.24 8.04 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.43 1.092 . . . . 0.0 112.642 173.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -63.85 -21.67 66.55 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -113.09 -30.63 6.92 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.955 1.302 . . . . 0.0 112.054 178.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.523 ' HB ' HG21 ' B' ' 46' ' ' ILE . 40.2 p -91.91 -26.29 18.52 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.616 1.166 . . . . 0.0 114.118 -175.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 62.7 m-70 32.25 50.92 0.19 Allowed 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 128.119 2.568 . . . . 0.0 115.529 179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.78 157.0 58.39 Favored Pre-proline 0 CA--C 1.545 0.763 0 C-N-CA 124.124 0.969 . . . . 0.0 113.312 -171.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -75.81 11.22 1.73 Allowed 'Trans proline' 0 CA--C 1.539 0.738 0 C-N-CA 124.177 3.252 . . . . 0.0 113.326 177.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 21.6 t -100.6 -34.76 4.15 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 C-N-CA 124.861 1.264 . . . . 0.0 109.896 -168.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.43 -30.83 71.86 Favored 'General case' 0 CA--C 1.544 0.725 0 O-C-N 121.355 -0.841 . . . . 0.0 111.074 172.235 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.57 6.1 1.2 Allowed 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.115 1.766 . . . . 0.0 114.973 167.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -125.12 -38.75 2.29 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 126.777 2.031 . . . . 0.0 111.993 168.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.425 HG21 ' CZ ' ' A' ' 17' ' ' TYR . 30.0 mt -64.29 -71.29 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.599 0 CA-C-N 118.474 0.579 . . . . 0.0 111.083 -179.653 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.01 -20.06 62.44 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 118.912 0.778 . . . . 0.0 111.26 -178.05 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 28.1 tp10 -59.08 -38.82 80.4 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 123.369 0.668 . . . . 0.0 111.575 170.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -74.83 -45.64 41.92 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.248 0.833 . . . . 0.0 113.248 170.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -56.46 -20.23 18.99 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 113.102 0.779 . . . . 0.0 113.102 177.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -71.2 -33.29 69.8 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.102 0.961 . . . . 0.0 112.497 175.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.22 -43.87 20.7 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.625 0.77 . . . . 0.0 111.32 171.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -46.87 -49.89 19.51 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.57 1.548 . . . . 0.0 114.252 -167.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.808 HD11 ' HB2' ' A' ' 10' ' ' GLU . 34.0 mm -65.24 -29.11 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.396 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -178.346 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -80.28 -39.28 29.16 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 118.461 0.573 . . . . 0.0 111.759 169.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 10.7 m0 -55.35 -25.34 34.36 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 126.537 1.935 . . . . 0.0 115.671 175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -108.55 20.08 18.98 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 126.985 2.114 . . . . 0.0 114.882 172.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -121.25 -39.19 2.71 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.827 2.051 . . . . 0.0 110.17 170.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 36.3 m -50.63 -37.43 40.34 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.466 1.506 . . . . 0.0 112.7 171.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mm -64.8 -49.47 79.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 C-N-CA 123.528 0.731 . . . . 0.0 112.61 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -76.11 -26.11 56.08 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 113.096 0.776 . . . . 0.0 113.096 -171.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 171.04 -13.07 0.05 OUTLIER Glycine 0 CA--C 1.537 1.452 0 N-CA-C 115.973 1.149 . . . . 0.0 115.973 173.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 119.646 1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.152 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -55.84 -27.14 50.01 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 125.117 1.367 . . . . 0.0 114.002 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -55.32 -38.37 68.62 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.042 1.337 . . . . 0.0 112.92 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 65.1 mt -66.26 -37.98 86.77 Favored 'General case' 0 N--CA 1.469 0.482 0 C-N-CA 125.17 1.388 . . . . 0.0 111.41 -173.222 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -59.41 -48.62 80.94 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.961 1.305 . . . . 0.0 110.623 170.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 49.0 tp10 -69.43 -36.35 76.6 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.749 0.819 . . . . 0.0 112.632 -176.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -56.59 -56.54 20.07 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 126.532 1.933 . . . . 0.0 112.277 174.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 30.8 tp -62.49 -49.04 76.94 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 126.451 1.9 . . . . 0.0 112.624 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -76.66 65.78 2.5 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.613 1.965 . . . . 0.0 113.04 -173.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 166.7 -34.12 0.22 Allowed Glycine 0 CA--C 1.524 0.626 0 C-N-CA 124.44 1.019 . . . . 0.0 115.638 -179.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -57.37 -28.54 63.28 Favored 'General case' 0 CA--C 1.547 0.85 0 O-C-N 121.788 -0.831 . . . . 0.0 112.187 173.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.5 pp -95.95 -15.39 22.38 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 126.648 1.979 . . . . 0.0 116.068 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 17.7 mp0 -60.59 -33.31 72.53 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 152.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -64.71 -52.37 43.24 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 124.339 0.971 . . . . 0.0 111.931 172.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 36.2 mm -50.87 -47.57 29.5 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 CA-C-N 118.264 1.032 . . . . 0.0 111.337 178.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -71.97 -32.68 67.49 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 -174.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 -74.99 -43.72 52.29 Favored 'General case' 0 C--N 1.332 -0.154 0 C-N-CA 124.976 1.31 . . . . 0.0 111.897 177.248 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -61.0 -34.99 75.67 Favored 'General case' 0 C--O 1.235 0.323 0 N-CA-C 112.851 0.686 . . . . 0.0 112.851 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -68.67 -27.27 65.83 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.58 -30.91 32.83 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.586 1.154 . . . . 0.0 113.026 171.276 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.67 -41.65 83.39 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 125.062 1.345 . . . . 0.0 113.512 -174.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -56.77 -26.67 58.04 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 118.843 0.747 . . . . 0.0 112.117 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -22.54 65.96 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 114.586 1.328 . . . . 0.0 114.586 176.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 46.9 m-85 -103.12 -35.87 8.34 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.775 1.23 . . . . 0.0 113.299 171.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 76.1 p -87.17 -24.07 24.6 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.184 1.179 . . . . 0.0 114.184 -176.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.262 19.0 m-70 36.42 48.33 0.58 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 127.915 2.486 . . . . 0.0 115.8 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -120.66 151.38 54.19 Favored Pre-proline 0 N--CA 1.478 0.953 0 C-N-CA 124.655 1.182 . . . . 0.0 113.884 -175.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -72.64 -11.83 26.38 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 124.01 3.14 . . . . 0.0 113.31 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -65.74 -31.64 54.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 C-N-CA 124.401 1.08 . . . . 0.0 113.173 -178.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.7 mp -66.37 -30.55 70.96 Favored 'General case' 0 CA--C 1.535 0.388 0 O-C-N 121.712 -0.617 . . . . 0.0 111.632 175.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.02 15.28 0.06 Allowed 'General case' 0 CA--C 1.556 1.2 0 C-N-CA 124.669 1.188 . . . . 0.0 113.772 166.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 2.1 tptm -131.7 -49.79 0.97 Allowed 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 128.245 2.618 . . . . 0.0 110.437 169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -63.05 -65.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 124.304 1.042 . . . . 0.0 110.792 179.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.93 -29.42 68.49 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 118.071 0.396 . . . . 0.0 111.198 179.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -58.7 -37.03 75.22 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 112.006 0.373 . . . . 0.0 112.006 171.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -78.4 -40.87 34.78 Favored 'General case' 0 C--N 1.34 0.167 0 N-CA-C 114.11 1.152 . . . . 0.0 114.11 174.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -57.39 -27.92 62.76 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 120.572 1.533 . . . . 0.0 113.0 176.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -64.83 -26.53 68.38 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 123.76 0.824 . . . . 0.0 111.54 -179.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 pttt -105.16 -26.81 11.92 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.253 1.421 . . . . 0.0 113.049 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -53.76 -43.31 69.07 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.275 1.83 . . . . 0.0 114.291 173.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 55.4 mt -62.75 -46.29 96.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 C-N-CA 123.217 0.607 . . . . 0.0 111.497 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -77.09 -31.69 56.11 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 121.932 -0.48 . . . . 0.0 111.915 175.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 18.4 m0 -53.99 -40.59 67.06 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 124.281 1.032 . . . . 0.0 113.716 171.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pp -76.26 -32.82 59.05 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.652 1.569 . . . . 0.0 113.39 174.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -71.16 -38.66 72.18 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.068 1.347 . . . . 0.0 113.109 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 51.8 m -56.18 -30.46 62.27 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.385 1.074 . . . . 0.0 112.727 178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.523 HG21 ' HB ' ' A' ' 24' ' ' THR . 4.7 mt -69.92 -52.48 30.75 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 O-C-N 121.813 -0.554 . . . . 0.0 111.461 177.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.88 -26.82 61.57 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -173.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.0 -34.65 1.26 Allowed Glycine 0 CA--C 1.539 1.555 0 C-N-CA 126.359 1.933 . . . . 0.0 116.253 167.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.435 0 O-C-N 120.426 -1.632 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.003 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -135.26 -25.56 1.34 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 124.796 1.238 . . . . 0.0 113.571 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -53.42 -40.51 65.2 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 124.979 1.312 . . . . 0.0 113.031 -176.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 74.0 mt -62.76 -43.38 98.95 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 124.018 0.927 . . . . 0.0 111.043 -170.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.0 ttt-85 -69.85 -35.63 74.88 Favored 'General case' 0 C--O 1.223 -0.338 0 CA-C-O 118.107 -0.949 . . . . 0.0 111.993 174.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.73 -38.93 92.66 Favored 'General case' 0 CA--C 1.549 0.918 0 CA-C-N 119.967 1.258 . . . . 0.0 112.334 173.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mp -62.63 -57.93 9.32 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.892 2.077 . . . . 0.0 112.263 174.106 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 76.3 mt -63.05 -49.08 75.96 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 125.451 1.5 . . . . 0.0 113.048 179.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -75.94 60.35 1.37 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.279 1.432 . . . . 0.0 112.389 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -174.45 -35.58 0.04 OUTLIER Glycine 0 CA--C 1.519 0.303 0 N-CA-C 117.648 1.819 . . . . 0.0 117.648 168.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -61.23 -28.13 68.94 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.705 1.253 . . . . 0.0 111.995 174.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.6 pp -70.2 -8.7 52.08 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 115.586 1.699 . . . . 0.0 115.586 174.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.6 tm0? -83.57 -11.65 57.1 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.675 1.59 . . . . 0.0 111.511 171.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.25 -46.35 1.87 Allowed Glycine 0 C--N 1.342 0.875 0 C-N-CA 124.5 1.048 . . . . 0.0 112.643 177.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -56.56 -51.6 63.53 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.388 0 CA-C-N 119.208 1.504 . . . . 0.0 111.358 -172.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -69.05 -30.09 68.37 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.432 1.093 . . . . 0.0 113.014 -175.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -79.01 -38.91 35.46 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 120.786 0.327 . . . . 0.0 111.852 179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.7 m-85 -57.77 -34.62 69.76 Favored 'General case' 0 C--O 1.235 0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 112.095 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -65.15 -29.06 69.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 176.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -74.08 -30.54 62.41 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.92 1.288 . . . . 0.0 112.947 171.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -28.11 58.08 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 114.211 1.189 . . . . 0.0 114.211 -174.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tt -58.02 -26.99 63.13 Favored 'General case' 0 N--CA 1.477 0.895 0 CA-C-N 119.464 1.029 . . . . 0.0 111.535 173.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.49 -19.92 65.88 Favored 'General case' 0 N--CA 1.472 0.656 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 176.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -117.76 -5.05 11.12 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.943 1.297 . . . . 0.0 112.6 -176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 53.5 p -121.91 -22.48 5.71 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.425 1.49 . . . . 0.0 113.363 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 30.11 52.77 0.12 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 129.013 2.925 . . . . 0.0 114.947 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -124.66 149.37 61.97 Favored Pre-proline 0 CA--C 1.547 0.829 0 C-N-CA 124.457 1.103 . . . . 0.0 112.458 -173.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -72.35 2.74 4.74 Favored 'Trans proline' 0 CA--C 1.541 0.843 0 C-N-CA 124.38 3.387 . . . . 0.0 113.479 179.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 13.9 t -81.04 -37.12 15.69 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.263 0 C-N-CA 125.52 1.528 . . . . 0.0 110.557 -174.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.438 ' H ' HD12 ' A' ' 29' ' ' LEU . 4.6 mp -67.67 -30.75 70.37 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.674 0.79 . . . . 0.0 110.934 176.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.92 5.27 0.93 Allowed 'General case' 0 CA--C 1.553 1.082 0 C-N-CA 126.185 1.794 . . . . 0.0 114.62 165.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.1 mtpt -121.87 -42.35 2.41 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 126.024 1.73 . . . . 0.0 112.074 164.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 62.6 mt -62.43 -68.58 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 C-N-CA 124.137 0.975 . . . . 0.0 110.543 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.84 -24.84 62.61 Favored 'General case' 0 CA--C 1.532 0.28 0 O-C-N 121.79 -0.569 . . . . 0.0 110.527 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -60.94 -34.9 75.43 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 119.077 -0.487 . . . . 0.0 111.259 171.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -75.65 -44.68 41.32 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 170.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -56.51 -24.41 46.26 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 118.654 0.661 . . . . 0.0 111.975 175.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -65.06 -31.76 73.13 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.297 1.039 . . . . 0.0 111.981 176.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -45.78 14.97 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 118.327 -0.844 . . . . 0.0 111.341 169.626 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.0 m170 -47.08 -44.47 21.13 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 125.992 1.717 . . . . 0.0 114.988 -162.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 41.3 mt -63.08 -48.9 85.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 122.538 0.335 . . . . 0.0 111.308 179.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -69.0 -33.06 73.06 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.652 -0.655 . . . . 0.0 112.594 173.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 6.9 m0 -56.48 -35.2 67.68 Favored 'General case' 0 CA--C 1.537 0.449 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 174.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp -93.39 -18.34 22.48 Favored 'General case' 0 N--CA 1.477 0.908 0 N-CA-C 114.877 1.436 . . . . 0.0 114.877 172.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.06 -43.72 61.58 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.195 -0.941 . . . . 0.0 112.389 169.521 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.5 m -51.68 -33.9 36.01 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.449 1.1 . . . . 0.0 112.464 177.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 10.0 mm -66.91 -38.97 82.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 178.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.93 -19.95 65.03 Favored 'General case' 0 CA--C 1.543 0.709 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -166.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.86 16.5 0.38 Allowed Glycine 0 CA--C 1.538 1.501 0 C-N-CA 124.445 1.022 . . . . 0.0 115.323 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.358 -1.672 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -56.03 -25.72 45.9 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.249 1.419 . . . . 0.0 114.184 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -50.86 -43.71 59.37 Favored 'General case' 0 N--CA 1.466 0.354 0 C-N-CA 125.827 1.651 . . . . 0.0 113.058 178.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 42.9 mt -66.01 -36.83 84.34 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.346 1.058 . . . . 0.0 111.581 -173.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 64.7 ttt180 -65.54 -40.17 92.6 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.637 0.775 . . . . 0.0 111.972 171.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -73.38 -32.55 64.54 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 178.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 mp -60.32 -59.69 5.01 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 126.928 2.091 . . . . 0.0 112.504 174.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -70.86 -21.52 62.41 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 125.033 1.333 . . . . 0.0 113.707 -173.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 18.0 ttpp -95.88 71.49 2.97 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 126.518 1.927 . . . . 0.0 111.21 -176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 159.75 -32.96 0.44 Allowed Glycine 0 CA--C 1.525 0.693 0 C-N-CA 125.3 1.429 . . . . 0.0 114.556 -172.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -54.53 -33.88 60.76 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.139 0.976 . . . . 0.0 112.17 170.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.98 -18.59 32.16 Favored 'General case' 0 C--N 1.34 0.19 0 C-N-CA 125.827 1.651 . . . . 0.0 114.682 178.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -66.26 -10.35 41.35 Favored 'General case' 0 CA--C 1.549 0.935 0 C-N-CA 123.828 0.851 . . . . 0.0 111.253 157.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.45 -50.26 2.22 Favored Glycine 0 CA--C 1.535 1.318 0 C-N-CA 125.29 1.424 . . . . 0.0 112.635 161.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -50.04 -52.95 12.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 CA-C-N 119.598 1.699 . . . . 0.0 112.134 -177.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 88.1 mttt -66.59 -33.45 75.69 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 113.133 0.79 . . . . 0.0 113.133 -176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.54 -39.47 62.32 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.126 1.37 . . . . 0.0 112.398 178.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -60.84 -41.49 95.91 Favored 'General case' 0 C--O 1.234 0.252 0 C-N-CA 123.816 0.847 . . . . 0.0 112.518 173.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 80.8 ttt180 -60.99 -35.47 76.89 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 111.802 0.297 . . . . 0.0 111.802 179.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -76.9 -39.52 50.63 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.959 1.304 . . . . 0.0 112.998 175.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.42 -29.12 70.27 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 126.511 1.924 . . . . 0.0 113.897 -175.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.1 tt -56.19 -24.04 39.2 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 123.719 0.808 . . . . 0.0 112.203 172.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.31 -25.4 68.03 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 174.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -101.36 -30.73 11.31 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.474 1.11 . . . . 0.0 113.148 175.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.2 p -93.92 -26.08 17.01 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 -176.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 35.87 47.43 0.41 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 127.794 2.437 . . . . 0.0 115.229 -176.603 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -119.22 150.09 48.53 Favored Pre-proline 0 CA--C 1.55 0.973 0 N-CA-C 114.326 1.232 . . . . 0.0 114.326 -170.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -72.64 -11.67 26.28 Favored 'Trans proline' 0 C--N 1.354 0.836 0 C-N-CA 124.087 3.192 . . . . 0.0 113.593 177.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 1.6 p -64.26 -31.74 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 O-C-N 121.179 -0.95 . . . . 0.0 113.232 -178.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mp -67.7 -27.79 67.12 Favored 'General case' 0 CA--C 1.539 0.528 0 O-C-N 121.65 -0.656 . . . . 0.0 112.01 175.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.77 9.96 0.45 Allowed 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.215 1.006 . . . . 0.0 113.641 165.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 63.1 mttt -123.65 -46.94 1.98 Allowed 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 127.368 2.267 . . . . 0.0 111.309 164.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 67.3 mt -64.24 -70.1 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 C-N-CA 123.962 0.905 . . . . 0.0 110.935 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.25 -27.22 67.04 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 118.618 0.645 . . . . 0.0 111.367 179.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -57.5 -37.46 73.0 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.066 0.546 . . . . 0.0 112.086 170.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.2 m-20 -79.79 -40.74 27.99 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.913 1.079 . . . . 0.0 113.913 172.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.5 mm-40 -58.7 -26.68 64.13 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 120.942 1.701 . . . . 0.0 112.677 176.485 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -68.66 -28.38 66.82 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.616 0.767 . . . . 0.0 112.187 179.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 pttt -103.8 -25.37 13.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.978 1.311 . . . . 0.0 113.179 -179.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 21.9 m170 -52.92 -44.21 66.83 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 126.701 2.0 . . . . 0.0 113.978 172.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.6 mt -63.69 -46.87 93.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.346 0.658 . . . . 0.0 111.332 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -73.08 -31.11 64.17 Favored 'General case' 0 N--CA 1.467 0.388 0 O-C-N 121.69 -0.631 . . . . 0.0 112.26 175.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 19.4 m0 -55.63 -49.18 73.55 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.524 1.13 . . . . 0.0 113.046 173.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -73.13 -26.83 61.37 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.964 1.257 . . . . 0.0 113.6 177.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -94.04 -24.75 17.49 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.81 1.041 . . . . 0.0 113.81 -172.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 66.0 m -60.87 -20.73 62.36 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 124.398 1.079 . . . . 0.0 112.972 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 11.7 mm -119.1 -33.62 1.62 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 125.241 1.416 . . . . 0.0 112.832 -169.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mp 48.15 26.97 1.15 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.017 1.727 . . . . 0.0 114.496 -167.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 68.41 14.59 66.98 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.449 1.023 . . . . 0.0 115.486 -175.113 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.366 0 O-C-N 120.273 -1.722 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.04 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -134.18 -17.09 2.12 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.86 1.264 . . . . 0.0 113.791 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 23.7 p90 -54.43 -36.7 64.31 Favored 'General case' 0 N--CA 1.472 0.649 0 N-CA-C 114.259 1.207 . . . . 0.0 114.259 -176.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 85.3 mt -63.25 -48.41 78.31 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.776 0.83 . . . . 0.0 111.312 174.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.9 ttp180 -61.34 -39.59 91.15 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-O 118.602 -0.714 . . . . 0.0 111.512 173.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -62.77 -31.72 72.74 Favored 'General case' 0 CA--C 1.548 0.883 0 CA-C-N 119.386 0.994 . . . . 0.0 112.936 174.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 mp -69.74 -56.58 6.8 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 125.727 1.611 . . . . 0.0 112.642 171.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -62.56 -38.97 92.11 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 124.276 1.03 . . . . 0.0 113.435 178.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 12.3 tttt -70.96 46.84 0.1 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.48 1.512 . . . . 0.0 113.156 171.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.5 -41.52 0.03 OUTLIER Glycine 0 CA--C 1.521 0.432 0 N-CA-C 119.564 2.586 . . . . 0.0 119.564 172.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -59.5 -28.35 66.97 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 119.203 1.501 . . . . 0.0 112.683 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -31.91 73.32 Favored 'General case' 0 CA--C 1.543 0.706 0 O-C-N 121.174 -0.954 . . . . 0.0 112.428 176.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.31 -21.35 66.26 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 125.32 1.448 . . . . 0.0 111.958 179.083 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.59 -41.9 7.11 Favored Glycine 0 CA--C 1.528 0.891 0 C-N-CA 124.009 0.814 . . . . 0.0 112.155 173.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.7 mt -56.45 -48.09 80.62 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 CA-C-N 118.454 1.127 . . . . 0.0 110.92 -176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.6 mttp -70.0 -25.79 63.77 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 114.073 1.138 . . . . 0.0 114.073 -177.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -82.35 -35.55 27.73 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 123.905 0.882 . . . . 0.0 113.166 176.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -61.26 -38.34 86.35 Favored 'General case' 0 C--O 1.233 0.23 0 O-C-N 121.434 -0.792 . . . . 0.0 112.772 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.87 -34.51 73.25 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 176.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -81.52 -33.91 31.52 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 126.518 1.927 . . . . 0.0 113.045 179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.74 -29.03 65.16 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.937 1.295 . . . . 0.0 113.503 -176.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -51.95 -31.3 28.39 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 124.84 1.256 . . . . 0.0 111.257 171.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.26 -23.24 67.23 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 114.663 1.357 . . . . 0.0 114.663 178.418 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.1 m-85 -107.82 -24.34 11.71 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 123.65 0.78 . . . . 0.0 112.964 -179.163 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 81.7 p -94.36 -40.91 9.7 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.91 0.884 . . . . 0.0 112.525 177.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 22.0 m-70 46.75 22.02 0.17 Allowed 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 128.46 2.704 . . . . 0.0 115.352 -168.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -82.02 155.56 70.0 Favored Pre-proline 0 CA--C 1.548 0.9 0 O-C-N 120.828 -1.17 . . . . 0.0 113.501 -176.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_endo -70.9 -6.29 18.83 Favored 'Trans proline' 0 CA--C 1.542 0.905 0 C-N-CA 123.912 3.075 . . . . 0.0 113.82 173.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -72.74 -31.85 38.37 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.612 0 O-C-N 121.064 -1.023 . . . . 0.0 112.675 -175.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mp -69.27 -30.19 68.24 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.83 0.852 . . . . 0.0 111.451 178.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.52 14.5 0.13 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.112 1.765 . . . . 0.0 114.055 164.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.6 tptt -132.51 -44.42 0.91 Allowed 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 127.389 2.276 . . . . 0.0 111.553 170.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 33.5 mt -64.51 -66.01 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.587 0 C-N-CA 123.837 0.855 . . . . 0.0 110.845 178.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.76 -23.08 58.49 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 118.769 0.713 . . . . 0.0 110.89 -179.173 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 -59.69 -27.8 66.75 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.102 0.561 . . . . 0.0 111.472 168.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -83.8 -44.65 14.15 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 165.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -58.9 -23.49 61.17 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 120.305 -1.497 . . . . 0.0 113.659 177.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -70.53 -28.93 65.32 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.418 0.687 . . . . 0.0 111.487 179.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.7 pttm -97.82 -27.28 14.38 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.896 1.678 . . . . 0.0 113.383 177.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -53.5 -47.91 69.44 Favored 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 125.764 1.626 . . . . 0.0 115.263 179.323 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 67.7 mt -62.67 -42.51 96.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 CA-C-N 118.127 0.422 . . . . 0.0 111.627 -177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -74.08 -32.5 63.28 Favored 'General case' 0 N--CA 1.469 0.51 0 O-C-N 121.479 -0.763 . . . . 0.0 112.579 173.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 13.2 m0 -55.79 -43.76 77.13 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.529 1.132 . . . . 0.0 113.762 172.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.06 -24.27 43.67 Favored 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 121.094 1.77 . . . . 0.0 114.852 174.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.2 -35.44 61.51 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 120.988 -1.07 . . . . 0.0 112.468 172.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -50.28 -38.77 42.91 Favored 'General case' 0 CA--C 1.536 0.412 0 C-N-CA 124.614 1.166 . . . . 0.0 112.014 173.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.2 mt -66.16 -38.01 81.01 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 125.061 1.345 . . . . 0.0 113.203 -177.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.81 -25.46 65.58 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -178.491 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.88 -18.9 0.13 Allowed Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.262 1.41 . . . . 0.0 114.434 176.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.489 -1.595 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.104 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -57.78 -26.51 62.0 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 114.362 1.245 . . . . 0.0 114.362 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 33.0 p90 -53.07 -34.38 56.28 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 124.991 1.316 . . . . 0.0 113.564 173.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.1 mt -64.64 -47.6 77.93 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.525 1.13 . . . . 0.0 111.396 176.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -60.77 -39.3 88.29 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.332 0.653 . . . . 0.0 111.666 176.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -67.34 -28.55 68.06 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 124.101 0.96 . . . . 0.0 113.158 173.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.1 mp -70.89 -56.6 5.91 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 125.489 1.516 . . . . 0.0 112.754 173.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 4.3 mp -58.98 -48.89 79.93 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.35 0.66 . . . . 0.0 112.588 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 ttpt -75.82 82.17 2.75 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 112.017 -177.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 156.32 -34.62 0.6 Allowed Glycine 0 CA--C 1.524 0.6 0 C-N-CA 125.942 1.734 . . . . 0.0 114.67 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -59.36 -39.69 84.05 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.857 0.863 . . . . 0.0 111.348 171.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -67.46 -35.13 78.59 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 126.589 1.956 . . . . 0.0 111.094 177.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -63.46 -23.54 67.44 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.694 1.597 . . . . 0.0 112.048 173.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -87.15 -45.29 5.39 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.617 1.103 . . . . 0.0 112.008 172.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 94.1 mt -51.76 -49.94 33.89 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 118.44 1.12 . . . . 0.0 111.155 -179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 76.0 tttt -67.23 -42.96 83.14 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.775 0.657 . . . . 0.0 112.775 -176.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -71.69 -34.74 69.9 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 124.964 1.305 . . . . 0.0 112.55 -175.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -62.76 -36.76 84.12 Favored 'General case' 0 C--O 1.233 0.223 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 172.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 1.4 mtp180 -65.71 -38.23 88.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 118.402 0.546 . . . . 0.0 112.133 179.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 26.4 tt0 -65.3 -37.0 85.8 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.54 1.136 . . . . 0.0 112.428 172.623 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.24 69.04 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 125.458 1.503 . . . . 0.0 114.232 -175.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.38 -28.79 65.49 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 119.395 0.998 . . . . 0.0 112.01 175.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.38 -27.81 69.56 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.236 -0.915 . . . . 0.0 113.355 178.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 17.5 m-85 -77.16 -15.52 59.49 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 175.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 6.8 p -133.24 -20.56 2.12 Favored 'General case' 0 N--CA 1.48 1.073 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 -163.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.276 54.3 m80 35.27 24.64 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.996 0 C-N-CA 130.426 3.49 . . . . 0.0 116.762 -163.548 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -76.56 146.69 77.43 Favored Pre-proline 0 CA--C 1.547 0.862 0 O-C-N 120.738 -1.226 . . . . 0.0 112.81 -172.716 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_endo -68.36 -19.16 43.97 Favored 'Trans proline' 0 C--N 1.352 0.717 0 C-N-CA 122.89 2.393 . . . . 0.0 112.036 169.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 11.1 t -73.66 -48.33 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.299 0 C-N-CA 124.293 1.037 . . . . 0.0 111.02 177.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . 0.257 0.3 OUTLIER -57.08 -16.53 7.64 Favored 'General case' 0 CA--C 1.559 1.304 0 CA-C-N 119.287 0.949 . . . . 0.0 113.091 168.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.87 -52.58 5.4 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 170.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 49.6 mttm -52.4 -36.38 53.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 120.949 1.704 . . . . 0.0 113.888 -179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.6 mt -60.05 -59.81 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 C-N-CA 124.797 1.239 . . . . 0.0 110.303 178.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -67.28 -29.06 68.56 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 113.027 0.751 . . . . 0.0 113.027 177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.28 -38.9 85.01 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 119.284 -0.389 . . . . 0.0 111.003 174.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -73.02 -44.76 60.51 Favored 'General case' 0 C--O 1.234 0.27 0 N-CA-C 113.944 1.091 . . . . 0.0 113.944 174.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 54.2 mm-40 -55.3 -24.97 31.5 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 118.844 0.747 . . . . 0.0 112.865 176.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -65.15 -32.53 74.27 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.302 0.641 . . . . 0.0 111.591 177.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 -45.15 15.47 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.898 171.324 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -47.03 -44.22 20.41 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.884 1.674 . . . . 0.0 115.095 -166.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 54.5 mt -61.4 -50.63 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 123.044 0.538 . . . . 0.0 111.233 178.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -75.03 -29.24 60.74 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.335 -0.853 . . . . 0.0 112.78 178.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 12.8 m0 -57.27 -44.9 84.38 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 125.289 1.436 . . . . 0.0 112.898 169.07 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.22 -28.88 57.35 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 119.793 1.179 . . . . 0.0 112.982 176.216 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -78.46 -37.72 42.83 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.122 0.969 . . . . 0.0 113.329 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 67.2 m -57.71 -28.82 64.19 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.483 1.113 . . . . 0.0 112.878 -177.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 17.6 mm -60.92 -31.02 48.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 125.714 1.606 . . . . 0.0 112.977 177.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 47.2 mt -85.59 -13.81 47.63 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.579 1.151 . . . . 0.0 114.014 -163.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -173.21 16.14 0.05 OUTLIER Glycine 0 CA--C 1.537 1.431 0 N-CA-C 115.837 1.095 . . . . 0.0 115.837 -176.649 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 O-C-N 120.269 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.099 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -140.4 -25.95 0.77 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.556 1.142 . . . . 0.0 114.07 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -51.32 -38.02 50.79 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.19 1.396 . . . . 0.0 113.285 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.42 -43.83 98.19 Favored 'General case' 0 CA--C 1.535 0.388 0 C-N-CA 125.701 1.601 . . . . 0.0 111.398 -175.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -62.36 -39.14 92.18 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.539 1.136 . . . . 0.0 111.866 174.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -67.07 -45.15 78.21 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 118.038 0.381 . . . . 0.0 111.975 175.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -55.29 -58.91 5.76 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 126.701 2.0 . . . . 0.0 112.231 177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 85.8 mt -55.82 -47.17 77.67 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 124.946 1.298 . . . . 0.0 112.312 179.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 40.9 ttmt -66.03 -41.41 90.95 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.991 0.916 . . . . 0.0 112.785 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -73.92 -36.99 51.23 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 114.717 0.647 . . . . 0.0 114.717 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -62.04 -35.45 78.62 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.821 -0.811 . . . . 0.0 112.06 169.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.33 -33.2 75.2 Favored 'General case' 0 CA--C 1.543 0.699 0 O-C-N 121.354 -0.841 . . . . 0.0 111.315 179.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -64.26 -19.76 65.6 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.276 1.83 . . . . 0.0 112.463 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.65 -34.38 5.79 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.707 1.146 . . . . 0.0 112.682 179.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 83.5 mt -58.88 -48.02 87.65 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.108 0 CA-C-N 118.684 1.242 . . . . 0.0 111.161 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -71.5 -25.52 62.29 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 -169.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 -79.38 -38.9 33.84 Favored 'General case' 0 C--O 1.231 0.131 0 C-N-CA 124.947 1.299 . . . . 0.0 112.328 177.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -62.23 -37.61 86.03 Favored 'General case' 0 C--O 1.234 0.26 0 N-CA-C 113.252 0.834 . . . . 0.0 113.252 177.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -67.74 -28.88 68.02 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -71.81 -32.37 67.52 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 173.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.85 -29.71 58.67 Favored 'General case' 0 CA--C 1.542 0.635 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -166.725 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.4 tt -62.98 -29.03 70.5 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 118.972 0.806 . . . . 0.0 112.714 172.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -65.94 -29.55 69.97 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 119.989 1.268 . . . . 0.0 113.185 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -77.84 -14.96 59.4 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 175.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 29.0 p -138.09 -26.9 0.91 Allowed 'General case' 0 N--CA 1.485 1.276 0 N-CA-C 114.755 1.391 . . . . 0.0 114.755 -162.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 68.6 m80 48.79 17.42 0.15 Allowed 'General case' 0 CA--C 1.547 0.861 0 C-N-CA 128.8 2.84 . . . . 0.0 115.597 -166.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -66.63 134.77 94.34 Favored Pre-proline 0 CA--C 1.55 0.944 0 C-N-CA 124.76 1.224 . . . . 0.0 111.92 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -75.15 -12.12 21.22 Favored 'Trans proline' 0 C--N 1.351 0.705 0 C-N-CA 123.173 2.582 . . . . 0.0 113.866 -172.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.5 p -70.99 -32.56 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 O-C-N 121.466 -0.771 . . . . 0.0 112.592 -176.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.5 mt -61.88 -37.35 84.25 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.123 0.969 . . . . 0.0 110.859 174.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.74 17.49 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 126.537 1.935 . . . . 0.0 114.614 170.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.7 mmtm -129.28 -39.58 1.51 Allowed 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 127.393 2.277 . . . . 0.0 111.004 166.188 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.8 mt -61.69 -61.99 1.34 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.422 0 C-N-CA 123.635 0.774 . . . . 0.0 111.785 178.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.6 pp -72.46 -21.9 61.16 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 118.608 0.64 . . . . 0.0 112.216 176.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.69 -35.46 74.54 Favored 'General case' 0 CA--C 1.537 0.45 0 CA-C-N 118.157 0.435 . . . . 0.0 110.449 172.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -72.67 -50.05 27.56 Favored 'General case' 0 C--O 1.233 0.225 0 N-CA-C 114.057 1.132 . . . . 0.0 114.057 168.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -54.75 -23.42 17.78 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.543 1.065 . . . . 0.0 113.482 177.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -66.12 -33.41 75.72 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.131 0.973 . . . . 0.0 111.608 178.408 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.31 -42.26 15.98 Favored 'General case' 0 C--O 1.222 -0.366 0 CA-C-O 118.137 -0.935 . . . . 0.0 111.777 171.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 21.1 m170 -49.06 -42.87 40.1 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 -165.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.6 mt -62.63 -54.08 38.65 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.803 0 C-N-CA 122.565 0.346 . . . . 0.0 110.933 176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -62.54 -35.44 79.44 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.823 -0.548 . . . . 0.0 112.36 176.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.2 m0 -57.34 -34.17 68.5 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 125.679 1.592 . . . . 0.0 115.005 176.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -90.63 -23.5 20.78 Favored 'General case' 0 N--CA 1.476 0.863 0 CA-C-N 120.585 1.539 . . . . 0.0 113.84 169.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -72.98 -37.91 66.87 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.577 1.081 . . . . 0.0 112.961 176.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 9.7 m -51.15 -35.12 34.27 Favored 'General case' 0 N--CA 1.466 0.352 0 C-N-CA 124.83 1.252 . . . . 0.0 112.197 174.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.9 mm -62.92 -31.43 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 124.079 0.951 . . . . 0.0 112.807 176.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 29.9 mt -82.81 -14.14 54.93 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.21 1.404 . . . . 0.0 114.545 -172.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.66 13.01 0.03 OUTLIER Glycine 0 CA--C 1.538 1.529 0 N-CA-C 117.152 1.621 . . . . 0.0 117.152 -177.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 119.994 1.897 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -55.47 -28.0 51.8 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.008 1.323 . . . . 0.0 114.051 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -54.75 -41.99 71.1 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.895 1.278 . . . . 0.0 112.469 173.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.6 mt -64.1 -42.98 96.69 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 124.132 0.973 . . . . 0.0 110.413 -176.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 8.4 tpm_? -60.04 -37.1 78.83 Favored 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 123.695 0.798 . . . . 0.0 112.366 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -69.11 -45.83 69.22 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 123.351 0.66 . . . . 0.0 111.974 173.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.02 -54.7 43.93 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 126.304 1.842 . . . . 0.0 113.182 -177.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.1 mp -58.04 -42.45 85.41 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.711 0.804 . . . . 0.0 113.045 176.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -79.47 71.24 6.03 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 125.169 1.388 . . . . 0.0 111.905 -175.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 162.93 -29.81 0.26 Allowed Glycine 0 C--N 1.331 0.302 0 N-CA-C 116.914 1.526 . . . . 0.0 116.914 175.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -58.16 -39.93 80.09 Favored 'General case' 0 CA--C 1.545 0.758 0 CA-C-N 117.487 0.643 . . . . 0.0 110.113 168.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.37 -40.59 97.66 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.026 2.13 . . . . 0.0 112.543 173.888 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -63.61 -26.82 68.86 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.723 1.209 . . . . 0.0 111.413 175.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -75.33 -50.1 8.69 Favored Glycine 0 CA--C 1.529 0.92 0 C-N-CA 124.692 1.139 . . . . 0.0 111.53 169.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 89.5 mt -51.11 -51.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 CA-C-N 118.527 1.164 . . . . 0.0 110.541 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 54.3 tttm -68.31 -37.31 80.48 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 14.0 mm100 -72.96 -39.94 65.74 Favored 'General case' 0 C--N 1.332 -0.188 0 C-N-CA 123.986 0.915 . . . . 0.0 112.299 178.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -61.68 -36.85 82.07 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 112.646 0.61 . . . . 0.0 112.646 175.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 40.9 ttt180 -65.82 -30.01 70.57 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 -179.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.3 -33.73 32.4 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.843 1.257 . . . . 0.0 113.032 171.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -62.57 -26.76 68.75 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 126.035 1.734 . . . . 0.0 113.805 -173.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 tt -60.31 -21.07 61.56 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.615 0.766 . . . . 0.0 112.539 171.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 34.9 mt-10 -65.17 -27.62 68.83 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 119.866 1.212 . . . . 0.0 114.041 172.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -104.38 -17.5 14.77 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.236 1.415 . . . . 0.0 114.107 176.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 67.7 p -114.3 -20.51 10.84 Favored 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 114.66 1.355 . . . . 0.0 114.66 -175.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 45.51 34.89 1.76 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 127.049 2.14 . . . . 0.0 115.277 174.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -122.64 146.49 47.95 Favored Pre-proline 0 N--CA 1.479 1.004 0 N-CA-C 114.969 1.47 . . . . 0.0 114.969 -167.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -75.92 -7.88 18.62 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 123.877 3.052 . . . . 0.0 113.811 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.8 m -60.29 -36.58 69.57 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-N 120.089 1.313 . . . . 0.0 112.217 174.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.8 mp -65.03 -30.76 71.76 Favored 'General case' 0 CA--C 1.537 0.451 0 O-C-N 121.491 -0.756 . . . . 0.0 112.456 175.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.34 6.04 1.51 Allowed 'General case' 0 CA--C 1.552 1.04 0 C-N-CA 124.48 1.112 . . . . 0.0 113.829 169.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -118.54 -40.92 2.86 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 126.339 1.856 . . . . 0.0 112.071 161.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 41.4 mt -59.73 -68.39 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 124.221 1.008 . . . . 0.0 110.65 177.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.85 -25.66 65.65 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 118.446 0.566 . . . . 0.0 112.07 -179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 43.0 tt0 -58.59 -41.4 85.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-O 118.99 -0.529 . . . . 0.0 111.45 170.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.8 m-20 -75.81 -43.08 47.89 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-N 119.414 1.006 . . . . 0.0 113.493 178.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -55.01 -25.46 30.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 118.984 0.811 . . . . 0.0 112.477 174.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -67.89 -31.21 70.84 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 123.742 0.817 . . . . 0.0 112.177 176.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.92 -43.87 17.54 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.846 0.858 . . . . 0.0 112.211 170.723 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.8 m170 -47.76 -44.25 28.08 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.926 1.691 . . . . 0.0 115.009 -166.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 67.5 mt -61.63 -51.9 67.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.873 0 C-N-CA 122.677 0.391 . . . . 0.0 111.359 176.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -65.54 -36.49 83.95 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.314 0.646 . . . . 0.0 112.078 177.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.8 m0 -57.01 -44.44 82.81 Favored 'General case' 0 C--O 1.233 0.223 0 C-N-CA 126.056 1.742 . . . . 0.0 114.197 176.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.2 pp -83.37 -29.72 27.98 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 120.112 1.324 . . . . 0.0 113.442 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -69.87 -33.44 72.25 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.506 -0.746 . . . . 0.0 112.539 176.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.1 m -58.37 -33.97 70.18 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 121.184 -0.948 . . . . 0.0 112.625 178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 34.0 mm -62.59 -28.54 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 C-N-CA 124.3 1.04 . . . . 0.0 112.475 177.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 31.5 mt -76.02 -15.44 60.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 124.67 1.188 . . . . 0.0 113.507 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 155.59 -21.85 0.54 Allowed Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.876 1.227 . . . . 0.0 114.63 177.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 O-C-N 120.725 -1.456 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -138.55 -26.84 0.87 Allowed 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 114.198 1.184 . . . . 0.0 114.198 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 34.3 p90 -53.28 -35.78 60.44 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 124.686 1.195 . . . . 0.0 113.459 178.176 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.1 mt -63.14 -45.05 93.73 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.548 1.939 . . . . 0.0 111.321 -179.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -59.65 -46.23 89.65 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 124.581 1.152 . . . . 0.0 110.686 174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -64.88 -41.08 95.94 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.021 0.528 . . . . 0.0 111.952 -179.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -58.16 -60.01 4.42 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 126.341 1.856 . . . . 0.0 112.692 173.295 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.72 -51.22 70.7 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 124.731 1.212 . . . . 0.0 113.739 -179.15 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -66.53 -22.48 66.17 Favored 'General case' 0 N--CA 1.483 1.203 0 CA-C-O 119.064 -0.493 . . . . 0.0 112.209 178.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -90.85 -51.89 2.55 Favored Glycine 0 C--N 1.341 0.83 0 N-CA-C 117.019 1.568 . . . . 0.0 117.019 -178.025 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -63.35 -26.92 68.98 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-N 118.536 1.168 . . . . 0.0 112.031 178.78 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.6 -28.59 69.24 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 120.761 1.619 . . . . 0.0 112.505 178.35 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.06 -8.38 52.97 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 128.38 2.672 . . . . 0.0 112.038 179.787 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -100.08 -42.78 2.54 Favored Glycine 0 CA--C 1.529 0.927 0 C-N-CA 125.166 1.365 . . . . 0.0 112.187 171.707 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.1 mt -56.11 -48.4 79.12 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.46 0 CA-C-N 119.217 1.508 . . . . 0.0 111.545 -171.889 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 79.6 mttt -73.14 -19.23 61.17 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 114.085 1.142 . . . . 0.0 114.085 -178.16 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -83.48 -35.28 25.02 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.569 0.581 . . . . 0.0 112.569 175.51 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -55.43 -34.92 64.86 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.486 1.114 . . . . 0.0 112.797 176.911 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -61.81 -30.85 71.09 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 176.868 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -81.73 -36.21 28.85 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.888 1.275 . . . . 0.0 112.035 178.79 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -64.0 -31.63 72.89 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 124.285 1.034 . . . . 0.0 112.85 -178.329 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.2 tt -52.97 -24.98 10.56 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 125.055 1.342 . . . . 0.0 112.987 172.366 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -61.55 -27.83 68.9 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 120.2 1.364 . . . . 0.0 113.679 173.062 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -105.89 -9.51 17.11 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.873 1.269 . . . . 0.0 112.157 177.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.7 p -145.51 52.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.808 1.643 . . . . 0.0 111.831 -166.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -51.18 0.97 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 127.51 2.324 . . . . 0.0 116.852 175.379 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -54.86 156.21 7.07 Favored Pre-proline 0 CA--C 1.551 1.013 0 C-N-CA 129.168 2.987 . . . . 0.0 114.406 178.037 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -70.33 -11.66 30.47 Favored 'Trans proline' 0 CA--C 1.542 0.92 0 C-N-CA 123.733 2.955 . . . . 0.0 113.539 171.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.52 -48.09 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.442 0 C-N-CA 126.343 1.857 . . . . 0.0 112.293 177.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 8.4 mp -65.71 -34.25 77.77 Favored 'General case' 0 CA--C 1.538 0.5 0 O-C-N 120.799 -1.188 . . . . 0.0 112.392 176.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.23 6.14 0.82 Allowed 'General case' 0 CA--C 1.553 1.081 0 C-N-CA 125.509 1.523 . . . . 0.0 114.17 169.639 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tptt -120.24 -44.63 2.48 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 127.472 2.309 . . . . 0.0 111.385 168.368 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 60.1 mt -64.82 -65.52 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 C-N-CA 123.635 0.774 . . . . 0.0 110.914 -178.91 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.79 -26.06 64.09 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.389 0.541 . . . . 0.0 110.347 -177.252 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.1 tp10 -56.87 -40.65 76.57 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.564 0.746 . . . . 0.0 110.665 170.696 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.473 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 66.4 m-20 -72.16 -46.84 54.8 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 169.692 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -57.2 -25.44 59.03 Favored 'General case' 0 CA--C 1.541 0.596 0 CA-C-N 120.233 1.379 . . . . 0.0 113.189 177.846 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -69.54 -27.4 65.13 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.022 0.929 . . . . 0.0 111.356 179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 22.2 mtmt -90.98 -41.65 10.99 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 126.454 1.902 . . . . 0.0 111.772 175.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -49.66 -48.96 49.11 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 126.321 1.849 . . . . 0.0 115.228 -171.479 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 57.5 mt -63.31 -39.86 86.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 CA-C-N 118.264 0.484 . . . . 0.0 111.265 -179.814 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -72.83 -37.18 67.56 Favored 'General case' 0 CA--C 1.538 0.484 0 O-C-N 122.116 -0.365 . . . . 0.0 111.758 175.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.1 m0 -53.36 -47.9 69.03 Favored 'General case' 0 CA--C 1.553 1.085 0 C-N-CA 126.296 1.838 . . . . 0.0 113.274 172.245 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.7 pp -78.69 1.76 21.84 Favored 'General case' 0 N--CA 1.486 1.336 0 N-CA-C 115.423 1.638 . . . . 0.0 115.423 171.095 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -100.23 -34.89 9.83 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.859 1.264 . . . . 0.0 112.296 166.954 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.5 m -52.93 -36.23 59.48 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 125.742 1.617 . . . . 0.0 112.395 174.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 31.8 mm -60.33 -42.69 91.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.891 0.876 . . . . 0.0 112.845 174.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 pp -93.93 -18.14 22.24 Favored 'General case' 0 CA--C 1.542 0.663 0 N-CA-C 114.723 1.379 . . . . 0.0 114.723 -171.241 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 159.76 -11.26 0.17 Allowed Glycine 0 CA--C 1.54 1.596 0 N-CA-C 116.246 1.259 . . . . 0.0 116.246 174.119 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.362 0 O-C-N 120.34 -1.682 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.106 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -56.65 -30.34 63.24 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.917 1.287 . . . . 0.0 114.089 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -54.38 -35.47 62.86 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 125.253 1.421 . . . . 0.0 113.741 176.885 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.28 -52.97 59.85 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.296 1.038 . . . . 0.0 111.099 176.024 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -59.37 -40.88 87.92 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.015 0.926 . . . . 0.0 111.778 176.774 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.47 -36.82 79.19 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.883 0.873 . . . . 0.0 112.191 174.692 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 tp -65.41 -45.31 84.45 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.712 1.605 . . . . 0.0 113.772 179.876 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mp -60.37 -37.1 79.67 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.895 0.878 . . . . 0.0 113.011 -176.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 64.5 tttt -85.9 62.6 7.55 Favored 'General case' 0 N--CA 1.466 0.357 0 C-N-CA 126.17 1.788 . . . . 0.0 112.082 -165.211 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 167.8 -30.59 0.18 Allowed Glycine 0 CA--C 1.522 0.473 0 N-CA-C 117.235 1.654 . . . . 0.0 117.235 -177.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.527 ' HB2' HD11 ' B' ' 40' ' ' ILE . 2.6 mm-40 -56.95 -37.35 71.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 118.164 0.982 . . . . 0.0 110.799 171.486 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -83.55 -20.82 33.13 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.81 1.644 . . . . 0.0 114.743 179.697 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -64.46 -17.52 63.91 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.817 0.847 . . . . 0.0 111.164 159.822 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.08 -46.53 3.31 Favored Glycine 0 CA--C 1.534 1.26 0 C-N-CA 125.438 1.494 . . . . 0.0 112.979 168.186 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.8 mt -49.34 -47.66 19.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.446 0 CA-C-N 119.586 1.693 . . . . 0.0 111.404 -179.322 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -69.7 -33.63 72.79 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 114.069 1.137 . . . . 0.0 114.069 179.452 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -73.73 -38.1 64.89 Favored 'General case' 0 N--CA 1.463 0.209 0 C-N-CA 125.349 1.46 . . . . 0.0 111.771 -178.918 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 21.5 m-85 -61.55 -39.94 92.9 Favored 'General case' 0 CA--C 1.531 0.216 0 C-N-CA 123.83 0.852 . . . . 0.0 113.001 174.283 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 24.6 mtp180 -66.63 -32.86 74.45 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 177.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.76 -36.74 76.04 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.628 1.171 . . . . 0.0 112.576 172.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -61.18 -46.86 88.74 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 124.79 1.236 . . . . 0.0 112.368 -179.923 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 1.1 tp -53.1 -29.11 28.74 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 124.277 1.031 . . . . 0.0 113.022 175.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -59.82 -30.17 68.75 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 119.664 1.12 . . . . 0.0 112.958 174.848 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 91.5 m-85 -101.17 -17.44 16.63 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.22 1.408 . . . . 0.0 113.62 172.1 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 73.0 p -138.02 64.39 1.51 Allowed 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 125.784 1.633 . . . . 0.0 112.741 -171.633 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -58.08 49.98 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.481 0 C-N-CA 127.644 2.378 . . . . 0.0 116.022 173.622 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 64.8 m-80 -94.99 155.23 39.3 Favored Pre-proline 0 CA--C 1.543 0.704 0 C-N-CA 127.004 2.122 . . . . 0.0 112.051 177.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 88.7 Cg_endo -70.3 -9.6 26.29 Favored 'Trans proline' 0 CA--C 1.538 0.721 0 C-N-CA 123.491 2.794 . . . . 0.0 113.34 177.169 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -75.55 -34.37 29.27 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 C-N-CA 124.833 1.253 . . . . 0.0 112.924 -173.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.7 mp -69.16 -31.6 70.35 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 120.773 -1.204 . . . . 0.0 111.567 176.12 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.71 11.83 0.12 Allowed 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 125.671 1.588 . . . . 0.0 114.18 165.736 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 76.0 mttt -122.54 -49.44 2.02 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 127.036 2.135 . . . . 0.0 110.406 164.514 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.8 mt -59.88 -69.48 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 C-N-CA 123.462 0.705 . . . . 0.0 111.313 -179.188 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.2 -25.3 65.16 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 118.241 0.473 . . . . 0.0 111.539 -179.44 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -59.67 -39.61 85.05 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 118.864 -0.589 . . . . 0.0 111.161 172.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -75.52 -44.51 43.34 Favored 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 114.051 1.13 . . . . 0.0 114.051 176.475 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 mm-40 -55.08 -24.31 24.75 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.347 0.976 . . . . 0.0 113.139 175.749 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.6 tt0 -72.18 -26.28 62.01 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 123.542 0.737 . . . . 0.0 112.398 178.616 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -45.74 12.47 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.85 0.86 . . . . 0.0 111.834 168.084 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -44.28 -50.09 9.1 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 125.975 1.71 . . . . 0.0 113.766 -166.4 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . 0.527 HD11 ' HB2' ' B' ' 10' ' ' GLU . 36.9 mm -62.1 -37.85 79.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 N-CA-C 113.961 1.097 . . . . 0.0 113.961 -178.95 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -82.12 -31.93 30.41 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 119.07 0.85 . . . . 0.0 112.426 173.092 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -53.19 -46.55 69.04 Favored 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 124.421 1.088 . . . . 0.0 112.735 170.56 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.3 pp -86.12 6.88 27.11 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 115.366 1.617 . . . . 0.0 115.366 177.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -117.07 -30.82 5.56 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.93 0.892 . . . . 0.0 112.917 175.909 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 97.2 m -57.59 -30.56 65.39 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.798 1.239 . . . . 0.0 112.576 178.463 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 35.5 mm -68.05 -35.29 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 C-N-CA 125.348 1.459 . . . . 0.0 113.023 176.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 69.5 mt -74.56 -23.75 58.82 Favored 'General case' 0 CA--C 1.541 0.62 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 -163.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 151.13 -14.39 0.86 Allowed Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.882 1.229 . . . . 0.0 114.611 -179.17 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 O-C-N 120.553 -1.557 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.017 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -148.26 -26.58 0.33 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.337 1.455 . . . . 0.0 113.317 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -49.69 -40.04 38.84 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 126.691 1.997 . . . . 0.0 114.316 -179.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.11 -41.67 81.41 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.369 0.668 . . . . 0.0 111.821 -177.747 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -62.78 -47.03 85.26 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 118.815 -0.612 . . . . 0.0 110.339 170.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.61 -37.19 75.34 Favored 'General case' 0 CA--C 1.55 0.962 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 178.656 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.2 tp -58.31 -50.91 71.93 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 125.128 1.371 . . . . 0.0 112.577 174.01 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.7 mt -64.28 -40.4 95.89 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.393 1.477 . . . . 0.0 113.283 176.051 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -71.63 15.13 0.15 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 126.399 1.88 . . . . 0.0 114.487 -175.623 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -128.88 -35.35 0.48 Allowed Glycine 0 C--N 1.334 0.47 0 N-CA-C 118.205 2.042 . . . . 0.0 118.205 167.804 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.96 -24.54 67.55 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 120.115 1.957 . . . . 0.0 114.705 178.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.65 -26.74 64.55 Favored 'General case' 0 N--CA 1.478 0.933 0 CA-C-N 120.657 1.571 . . . . 0.0 111.077 176.055 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 31.7 tt0 -67.83 -11.87 59.45 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.445 1.898 . . . . 0.0 112.702 -179.484 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -103.82 -31.88 4.64 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 124.661 1.124 . . . . 0.0 113.154 177.381 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.7 mt -58.49 -45.47 90.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-N 119.189 1.495 . . . . 0.0 111.486 -173.929 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.7 mttt -72.78 -29.51 63.35 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 -176.369 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.97 -35.87 69.65 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 124.622 1.169 . . . . 0.0 112.49 175.896 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -64.86 -35.62 81.72 Favored 'General case' 0 C--O 1.233 0.212 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 174.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -66.85 -21.96 66.01 Favored 'General case' 0 N--CA 1.475 0.789 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 178.953 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.58 -30.34 67.0 Favored 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 169.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.24 -35.5 48.2 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 -158.476 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -29.03 61.66 Favored 'General case' 0 N--CA 1.485 1.275 0 CA-C-N 120.338 1.427 . . . . 0.0 112.441 174.579 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -64.18 -23.53 67.35 Favored 'General case' 0 CA--C 1.538 0.51 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -178.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -95.61 -36.65 11.17 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.145 1.378 . . . . 0.0 112.899 168.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 59.7 p -98.91 -22.23 15.89 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.673 2.101 . . . . 0.0 116.673 -165.34 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.333 74.3 m-70 45.74 44.48 10.63 Favored 'General case' 0 N--CA 1.491 1.579 0 CA-C-N 120.801 1.637 . . . . 0.0 113.465 -179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -118.9 152.21 51.36 Favored Pre-proline 0 CA--C 1.554 1.119 0 C-N-CA 129.796 3.238 . . . . 0.0 114.662 -178.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.0 Cg_endo -76.45 -8.56 18.44 Favored 'Trans proline' 0 CA--C 1.543 0.963 0 C-N-CA 124.311 3.341 . . . . 0.0 114.341 174.427 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 6.0 p -67.48 -44.91 86.4 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 C-N-CA 125.015 1.326 . . . . 0.0 113.517 -169.214 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.629 HD22 ' H ' ' A' ' 29' ' ' LEU . 1.4 mm? -59.07 -37.79 77.9 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.367 1.067 . . . . 0.0 111.757 174.14 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.12 6.92 1.1 Allowed 'General case' 0 CA--C 1.553 1.064 0 C-N-CA 125.753 1.621 . . . . 0.0 114.554 174.199 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.7 ttmt -126.16 -37.04 2.28 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.95 2.1 . . . . 0.0 112.002 170.09 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 44.6 mt -66.42 -65.65 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.165 0.586 . . . . 0.0 111.08 175.021 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -70.28 -23.94 62.96 Favored 'General case' 0 N--CA 1.468 0.446 0 O-C-N 121.81 -0.556 . . . . 0.0 111.488 -177.221 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.8 tp10 -56.57 -40.87 75.93 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.454 0.702 . . . . 0.0 111.172 168.94 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.42 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.1 m-20 -71.22 -48.84 48.91 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 168.925 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -56.55 -23.46 40.35 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.476 1.034 . . . . 0.0 113.351 178.815 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -68.78 -35.75 77.44 Favored 'General case' 0 N--CA 1.474 0.726 0 O-C-N 121.477 -0.765 . . . . 0.0 111.186 178.16 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.42 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 13.1 mtmt -84.42 -40.14 18.15 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 126.014 1.726 . . . . 0.0 111.636 178.768 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.6 m170 -49.26 -48.67 45.68 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.148 1.779 . . . . 0.0 114.826 -173.917 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 73.7 mt -59.46 -43.94 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 CA-C-N 118.27 0.486 . . . . 0.0 111.431 -179.444 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -72.98 -35.78 66.96 Favored 'General case' 0 N--CA 1.467 0.405 0 O-C-N 122.018 -0.426 . . . . 0.0 112.12 174.281 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 20.0 m0 -54.09 -33.25 57.13 Favored 'General case' 0 CA--C 1.548 0.88 0 N-CA-C 114.632 1.345 . . . . 0.0 114.632 173.137 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.2 pp -99.11 20.67 12.98 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 125.497 1.519 . . . . 0.0 114.674 171.925 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -127.15 -40.27 1.85 Allowed 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 126.176 1.79 . . . . 0.0 111.565 175.793 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 35.0 m -51.77 -36.23 46.66 Favored 'General case' 0 CA--C 1.534 0.344 0 C-N-CA 125.266 1.426 . . . . 0.0 112.437 172.433 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.8 mm -56.53 -39.76 64.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.95 0 C-N-CA 124.608 1.163 . . . . 0.0 112.487 174.113 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 34.1 mt -78.98 -21.26 47.33 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.143 1.377 . . . . 0.0 113.905 -166.147 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.02 19.96 0.03 OUTLIER Glycine 0 CA--C 1.538 1.486 0 N-CA-C 115.995 1.158 . . . . 0.0 115.995 -178.727 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 O-C-N 120.255 -1.733 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.179 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -59.17 -24.78 63.36 Favored 'General case' 0 N--CA 1.476 0.868 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 30.6 p90 -56.67 -33.63 66.58 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 124.398 1.079 . . . . 0.0 113.373 174.358 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 52.4 mt -64.38 -50.15 68.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.729 1.212 . . . . 0.0 110.946 175.301 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 27.9 ttp180 -56.19 -45.22 79.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.305 0.642 . . . . 0.0 111.09 173.7 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -59.93 -35.78 75.64 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 123.876 0.87 . . . . 0.0 112.465 177.397 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mp -67.65 -55.21 14.17 Favored 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 126.272 1.829 . . . . 0.0 113.237 173.937 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -56.42 -41.43 76.35 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.248 1.019 . . . . 0.0 112.943 177.99 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -72.25 40.18 0.08 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 126.939 2.096 . . . . 0.0 114.35 -177.033 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -175.04 -22.96 0.02 OUTLIER Glycine 0 CA--C 1.525 0.71 0 N-CA-C 118.369 2.108 . . . . 0.0 118.369 175.42 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.93 -35.91 69.62 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 118.577 1.189 . . . . 0.0 111.953 172.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.24 -34.0 76.7 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.806 2.042 . . . . 0.0 112.103 177.894 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.12 -28.98 70.44 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.094 1.358 . . . . 0.0 111.326 174.353 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.81 -47.2 7.94 Favored Glycine 0 CA--C 1.529 0.914 0 C-N-CA 124.31 0.957 . . . . 0.0 111.81 173.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 91.0 mt -51.21 -49.35 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-N 118.232 1.016 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 51.4 mtpt -76.43 -26.8 55.87 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -174.345 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -76.96 -33.84 57.64 Favored 'General case' 0 C--O 1.232 0.156 0 C-N-CA 123.769 0.828 . . . . 0.0 112.264 174.891 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -58.93 -29.54 67.18 Favored 'General case' 0 C--O 1.234 0.238 0 N-CA-C 113.895 1.072 . . . . 0.0 113.895 176.156 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.8 mtp180 -71.24 -18.82 62.43 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 114.458 1.281 . . . . 0.0 114.458 177.738 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.53 -34.16 31.33 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.168 0.987 . . . . 0.0 112.08 166.583 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -67.22 -35.21 79.11 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.446 1.098 . . . . 0.0 113.139 -171.12 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.01 -24.99 66.58 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 172.931 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -66.92 -29.89 69.89 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 120.925 1.693 . . . . 0.0 112.835 174.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -87.28 -31.33 20.29 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 174.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 37.7 p -98.55 -27.97 13.79 Favored 'General case' 0 N--CA 1.484 1.27 0 CA-C-N 119.937 1.244 . . . . 0.0 113.999 -178.84 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 47.56 16.19 0.06 Allowed 'General case' 0 CA--C 1.556 1.177 0 C-N-CA 127.959 2.503 . . . . 0.0 115.807 -166.068 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -89.66 155.47 48.14 Favored Pre-proline 0 CA--C 1.549 0.909 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -165.333 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -71.17 -11.44 28.89 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.193 3.262 . . . . 0.0 113.243 176.512 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 55.8 t -77.66 -32.23 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.235 1.014 . . . . 0.0 112.525 -177.57 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -59.49 -36.07 75.33 Favored 'General case' 0 CA--C 1.544 0.729 0 O-C-N 120.675 -1.265 . . . . 0.0 111.236 169.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.79 14.59 0.26 Allowed 'General case' 0 CA--C 1.554 1.124 0 C-N-CA 126.02 1.728 . . . . 0.0 114.832 170.093 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 29.1 tptt -126.21 -42.47 1.85 Allowed 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 126.522 1.929 . . . . 0.0 111.915 168.605 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.2 mt -62.63 -62.29 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 123.809 0.844 . . . . 0.0 110.275 176.563 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.17 -27.22 65.33 Favored 'General case' 0 N--CA 1.468 0.471 0 N-CA-C 112.153 0.427 . . . . 0.0 112.153 -179.836 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tp10 -60.41 -37.25 80.26 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.046 0.539 . . . . 0.0 111.493 172.72 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.535 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 74.7 m-20 -79.14 -42.87 25.19 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 174.8 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 67.9 mm-40 -56.62 -27.19 57.75 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 120.383 1.447 . . . . 0.0 113.164 175.609 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.94 -31.65 72.69 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.108 0.563 . . . . 0.0 111.343 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.535 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 47.6 mtmt -82.68 -45.16 14.83 Favored 'General case' 0 C--O 1.222 -0.359 0 C-N-CA 125.676 1.59 . . . . 0.0 111.516 174.361 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -47.56 -47.51 28.26 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 126.504 1.922 . . . . 0.0 114.866 -170.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 48.8 mt -62.2 -50.27 80.67 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.983 0 CA-C-N 118.284 0.493 . . . . 0.0 111.603 179.868 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -66.0 -39.67 90.5 Favored 'General case' 0 N--CA 1.465 0.312 0 C-N-CA 123.012 0.525 . . . . 0.0 111.104 177.277 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.9 m0 -51.01 -50.62 58.16 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 125.22 1.408 . . . . 0.0 112.454 174.231 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.6 OUTLIER -81.03 5.48 16.34 Favored 'General case' 0 CA--C 1.547 0.83 0 CA-C-N 120.938 1.699 . . . . 0.0 115.388 178.274 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -116.12 -34.11 4.8 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.457 1.026 . . . . 0.0 113.471 179.791 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 52.6 m -55.93 -27.19 51.14 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.562 1.145 . . . . 0.0 113.048 174.204 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 23.7 mm -70.22 -34.77 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 C-N-CA 127.171 2.188 . . . . 0.0 112.793 -179.901 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 83.7 mt -79.62 -25.14 41.51 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -161.415 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 160.9 -159.71 31.29 Favored Glycine 0 CA--C 1.535 1.301 0 C-N-CA 124.442 1.02 . . . . 0.0 113.169 -171.337 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.385 0 O-C-N 121.032 -1.275 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -138.37 -20.05 1.08 Allowed 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 124.768 1.227 . . . . 0.0 113.632 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -52.16 -39.98 60.78 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.828 1.251 . . . . 0.0 113.006 -179.714 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -63.14 -46.6 86.47 Favored 'General case' 0 N--CA 1.464 0.267 0 C-N-CA 123.841 0.856 . . . . 0.0 110.919 -175.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -62.61 -41.11 98.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 123.583 0.753 . . . . 0.0 112.065 173.837 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -60.43 -45.32 94.04 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 117.959 0.345 . . . . 0.0 111.844 174.599 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -58.74 -61.2 2.79 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.987 2.115 . . . . 0.0 112.096 174.756 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.81 -53.04 35.37 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 125.201 1.4 . . . . 0.0 112.825 177.756 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -68.19 -40.97 82.07 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.615 0.643 . . . . 0.0 112.533 -178.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -70.52 -38.17 68.87 Favored Glycine 0 CA--C 1.522 0.496 0 C-N-CA 123.425 0.536 . . . . 0.0 114.297 -178.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -62.96 -36.04 82.17 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 122.2 -0.588 . . . . 0.0 110.968 168.605 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.17 -38.31 87.74 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 120.029 1.286 . . . . 0.0 111.702 177.179 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -62.01 -27.01 68.57 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 125.611 1.565 . . . . 0.0 112.18 178.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.44 -46.17 7.03 Favored Glycine 0 CA--C 1.528 0.888 0 C-N-CA 123.973 0.797 . . . . 0.0 112.161 171.427 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.33 -46.27 85.3 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 CA-C-N 118.298 1.049 . . . . 0.0 111.01 -176.679 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.6 tmtp? -73.42 -15.0 61.36 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -174.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 mm-40 -91.05 -38.45 12.79 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 124.63 1.172 . . . . 0.0 112.969 171.906 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 20.6 m-85 -60.72 -39.44 88.63 Favored 'General case' 0 C--O 1.234 0.285 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 177.641 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -66.58 -23.03 66.14 Favored 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -179.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -81.74 -34.21 30.6 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.99 1.316 . . . . 0.0 112.52 173.557 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.87 -29.24 55.72 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 114.104 1.15 . . . . 0.0 114.104 -169.097 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 45.7 tp -59.9 -31.13 69.52 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.41 -0.806 . . . . 0.0 112.393 172.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -65.39 -26.0 67.8 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-N 119.31 0.959 . . . . 0.0 113.493 -179.52 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 58.6 m-85 -89.77 -4.52 57.62 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.829 1.251 . . . . 0.0 113.891 179.649 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.2 p -140.13 -27.53 0.75 Allowed 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 114.667 1.358 . . . . 0.0 114.667 -169.994 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 70.8 m80 41.57 23.29 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.981 0 C-N-CA 128.869 2.867 . . . . 0.0 115.838 -164.655 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -70.82 137.09 85.26 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 124.3 1.04 . . . . 0.0 112.456 -177.705 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -69.62 -7.05 20.02 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 123.604 2.869 . . . . 0.0 114.115 -173.703 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.2 p -78.05 -35.37 20.24 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 C-N-CA 123.919 0.887 . . . . 0.0 113.009 -174.134 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.2 mp -63.56 -34.91 78.85 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.487 0.715 . . . . 0.0 111.492 175.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.73 6.27 0.9 Allowed 'General case' 0 CA--C 1.553 1.084 0 C-N-CA 126.285 1.834 . . . . 0.0 114.696 169.55 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -123.63 -39.39 2.43 Favored 'General case' 0 N--CA 1.468 0.463 0 C-N-CA 127.214 2.206 . . . . 0.0 112.07 170.848 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.6 -63.06 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 0 C-N-CA 123.605 0.762 . . . . 0.0 110.497 177.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.62 -21.27 60.35 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.8 -0.562 . . . . 0.0 111.345 -178.378 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -58.58 -39.41 80.25 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 122.635 0.374 . . . . 0.0 111.183 169.577 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.36 -47.91 45.81 Favored 'General case' 0 C--O 1.233 0.201 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 170.572 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.18 -23.56 22.38 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 118.999 0.818 . . . . 0.0 113.003 176.914 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -68.95 -34.04 74.7 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.039 0.935 . . . . 0.0 111.901 177.518 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -42.04 33.78 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 118.152 -0.928 . . . . 0.0 111.654 169.177 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 14.1 m170 -50.26 -44.64 53.72 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 -167.523 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 42.8 mt -62.4 -41.08 90.39 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 177.648 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 51.8 mm-40 -68.89 -44.52 73.04 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 121.614 -0.679 . . . . 0.0 110.992 172.863 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 12.4 m0 -55.19 -37.96 67.75 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 126.904 2.082 . . . . 0.0 114.37 -179.686 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.57 -13.63 58.9 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 115.032 1.493 . . . . 0.0 115.032 173.103 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -91.68 -31.74 15.72 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 124.896 1.278 . . . . 0.0 112.405 172.098 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 29.9 m -51.04 -36.93 42.35 Favored 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 125.616 1.566 . . . . 0.0 112.323 171.118 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 mt -53.57 -39.74 38.79 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.979 0 C-N-CA 125.126 1.37 . . . . 0.0 112.207 174.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 25.1 mt -76.43 -18.14 58.97 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.569 1.548 . . . . 0.0 113.314 -177.285 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 139.7 -15.1 3.13 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 126.097 1.808 . . . . 0.0 113.835 -176.543 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.242 0 O-C-N 120.506 -1.585 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -53.88 -28.77 38.37 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 125.01 1.324 . . . . 0.0 113.813 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -50.76 -39.22 51.66 Favored 'General case' 0 C--O 1.221 -0.438 0 C-N-CA 125.868 1.667 . . . . 0.0 113.343 175.647 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 44.6 mt -67.0 -36.98 83.37 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 124.223 1.009 . . . . 0.0 111.48 -170.398 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -60.0 -44.32 94.62 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.238 0.615 . . . . 0.0 111.304 168.882 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -70.18 -34.82 73.44 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 123.889 0.876 . . . . 0.0 112.616 -179.216 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -47.03 79.62 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.402 2.281 . . . . 0.0 111.595 177.005 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 83.7 mt -64.55 -39.02 92.99 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.106 0.962 . . . . 0.0 112.92 177.008 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -84.33 105.02 14.84 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.946 1.699 . . . . 0.0 112.222 -169.406 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 126.16 -15.05 6.92 Favored Glycine 0 CA--C 1.527 0.84 0 C-N-CA 125.691 1.615 . . . . 0.0 115.332 178.038 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -60.02 -23.24 63.53 Favored 'General case' 0 CA--C 1.548 0.868 0 O-C-N 121.384 -1.068 . . . . 0.0 112.829 176.042 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 pp -107.06 0.36 23.5 Favored 'General case' 0 C--N 1.34 0.167 0 C-N-CA 127.917 2.487 . . . . 0.0 116.051 174.822 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -69.28 -5.81 25.42 Favored 'General case' 0 CA--C 1.551 1.016 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.272 141.711 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -101.28 -61.0 0.78 Allowed Glycine 0 CA--C 1.536 1.362 0 C-N-CA 124.433 1.016 . . . . 0.0 112.73 160.012 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 78.8 mt -47.54 -56.13 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 CA-C-N 118.935 1.368 . . . . 0.0 112.749 -172.782 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 83.6 mttt -74.39 -22.08 59.35 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.35 0.87 . . . . 0.0 113.35 -173.276 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.3 mt-30 -79.52 -39.97 30.7 Favored 'General case' 0 CA--C 1.53 0.197 0 C-N-CA 124.005 0.922 . . . . 0.0 112.428 172.683 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.4 m-85 -59.73 -41.38 90.74 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 123.55 0.74 . . . . 0.0 112.451 175.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 21.6 ttt-85 -64.84 -31.19 72.3 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.511 0.596 . . . . 0.0 112.578 179.844 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -73.95 -34.36 64.27 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.525 1.53 . . . . 0.0 112.8 171.384 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.61 -30.43 65.78 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 125.608 1.563 . . . . 0.0 113.106 -176.034 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 9.2 tt -59.5 -26.09 65.01 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 119.159 0.89 . . . . 0.0 112.344 172.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mt-10 -65.62 -30.34 71.04 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-N 119.889 1.222 . . . . 0.0 113.181 173.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -84.82 -41.48 16.03 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 125.287 1.435 . . . . 0.0 113.003 175.001 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 49.5 p -93.86 -25.23 17.43 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 114.283 1.216 . . . . 0.0 114.283 -173.081 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.25 29.8 m-70 40.99 25.42 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 128.02 2.528 . . . . 0.0 116.064 -167.402 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -89.12 145.77 34.98 Favored Pre-proline 0 CA--C 1.548 0.875 0 O-C-N 120.851 -1.156 . . . . 0.0 113.031 -170.424 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.7 Cg_endo -71.94 -12.86 28.78 Favored 'Trans proline' 0 C--N 1.354 0.829 0 C-N-CA 123.693 2.928 . . . . 0.0 113.195 176.962 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.8 t -67.47 -33.89 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 124.639 1.176 . . . . 0.0 112.247 -179.663 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 6.1 mp -66.17 -32.36 73.75 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.964 -1.085 . . . . 0.0 111.519 174.188 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.33 10.26 0.35 Allowed 'General case' 0 CA--C 1.554 1.109 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 168.076 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 mttt -119.16 -44.68 2.58 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 126.36 1.864 . . . . 0.0 111.499 160.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 39.0 mt -60.28 -67.61 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 123.993 0.917 . . . . 0.0 110.962 179.478 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -26.12 65.31 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 118.403 0.547 . . . . 0.0 111.741 179.517 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -59.46 -38.15 80.04 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 119.013 -0.518 . . . . 0.0 111.735 171.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 79.4 m-20 -76.79 -44.34 33.18 Favored 'General case' 0 C--N 1.34 0.174 0 CA-C-N 119.482 1.037 . . . . 0.0 113.605 176.496 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.9 mm-40 -55.49 -25.1 35.11 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 118.624 0.647 . . . . 0.0 112.421 176.286 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -65.81 -31.42 72.37 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.972 0.909 . . . . 0.0 111.911 177.113 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.64 -44.53 14.45 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 118.321 -0.847 . . . . 0.0 111.95 170.76 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -47.01 -45.47 21.14 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.916 1.686 . . . . 0.0 114.679 -166.303 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 45.1 mt -62.29 -47.99 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.847 0 C-N-CA 122.881 0.472 . . . . 0.0 111.983 179.175 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -70.92 -35.8 72.4 Favored 'General case' 0 N--CA 1.471 0.616 0 O-C-N 121.182 -0.949 . . . . 0.0 112.421 174.423 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.4 m0 -53.68 -34.16 57.79 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 124.775 1.23 . . . . 0.0 114.024 174.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.268 0.9 OUTLIER -91.92 5.77 48.77 Favored 'General case' 0 CA--C 1.55 0.96 0 N-CA-C 115.475 1.657 . . . . 0.0 115.475 173.412 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -123.78 -28.99 3.75 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.608 1.163 . . . . 0.0 113.719 -178.201 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 54.4 m -55.2 -30.82 60.71 Favored 'General case' 0 N--CA 1.478 0.972 0 O-C-N 120.429 -1.419 . . . . 0.0 111.952 171.351 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 50.5 mm -58.11 -35.37 52.42 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.705 0 C-N-CA 126.433 1.893 . . . . 0.0 113.527 173.62 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 pp -112.97 -19.08 12.05 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.278 1.214 . . . . 0.0 114.278 -168.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -167.63 23.53 0.11 Allowed Glycine 0 CA--C 1.535 1.322 0 N-CA-C 114.945 0.738 . . . . 0.0 114.945 -178.875 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 0 O-C-N 120.551 -1.558 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.09 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -143.09 -31.12 0.5 Allowed 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 114.077 1.14 . . . . 0.0 114.077 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 10.6 m-85 -53.79 -37.73 63.78 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.114 0.965 . . . . 0.0 113.018 -179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.4 mt -66.55 -33.85 76.6 Favored 'General case' 0 CA--C 1.533 0.327 0 C-N-CA 125.295 1.438 . . . . 0.0 112.096 -168.303 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.8 ttm180 -76.57 -41.83 44.94 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 118.518 -0.753 . . . . 0.0 111.603 170.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -58.42 -34.73 71.11 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 119.366 0.985 . . . . 0.0 112.531 174.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 tp -55.65 -48.39 75.06 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 128.043 2.537 . . . . 0.0 112.847 175.604 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -91.11 -22.11 20.86 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.618 1.567 . . . . 0.0 113.376 -177.551 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -64.76 17.67 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 128.227 2.611 . . . . 0.0 115.046 172.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -144.91 -29.57 0.09 OUTLIER Glycine 0 CA--C 1.517 0.213 0 N-CA-C 119.465 2.546 . . . . 0.0 119.465 167.076 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -61.82 -28.88 69.79 Favored 'General case' 0 N--CA 1.486 1.333 0 CA-C-N 120.384 2.092 . . . . 0.0 113.203 177.018 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.9 pp -70.55 -18.56 62.92 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 115.347 1.61 . . . . 0.0 115.347 177.832 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -71.67 -22.91 61.6 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.386 1.474 . . . . 0.0 111.746 174.949 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -83.76 -35.19 16.85 Favored Glycine 0 C--N 1.34 0.77 0 C-N-CA 124.462 1.03 . . . . 0.0 112.036 -179.111 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.2 mm -51.71 -44.27 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 CA-C-N 118.529 1.165 . . . . 0.0 111.913 -178.594 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 42.2 tttt -81.96 -14.49 55.97 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 124.513 1.125 . . . . 0.0 113.843 -172.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -91.82 -39.81 11.55 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 125.287 1.435 . . . . 0.0 111.696 172.816 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -59.82 -40.79 89.64 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 113.45 0.908 . . . . 0.0 113.45 177.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -22.22 66.74 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 177.733 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -97.79 -29.65 13.24 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 125.847 1.659 . . . . 0.0 112.487 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.64 -30.06 70.72 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.113 1.365 . . . . 0.0 112.9 179.886 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.0 tt -52.92 -30.69 35.88 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.766 0.826 . . . . 0.0 111.914 172.341 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.32 -22.24 66.75 Favored 'General case' 0 N--CA 1.476 0.829 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 178.731 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -115.6 6.87 14.68 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 125.054 1.342 . . . . 0.0 112.187 -175.415 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.419 ' HB ' HG21 ' B' ' 46' ' ' ILE . 36.9 p -139.2 -27.31 0.81 Allowed 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 125.168 1.387 . . . . 0.0 114.274 -173.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 37.4 m-70 29.6 55.51 0.14 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 128.811 2.844 . . . . 0.0 115.612 176.904 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -122.81 157.51 59.74 Favored Pre-proline 0 CA--C 1.549 0.92 0 C-N-CA 124.485 1.114 . . . . 0.0 112.904 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -74.86 6.09 3.53 Favored 'Trans proline' 0 CA--C 1.543 0.942 0 C-N-CA 124.171 3.247 . . . . 0.0 113.467 176.803 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.9 t -92.9 -33.21 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 125.355 1.462 . . . . 0.0 111.042 -171.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.7 mp -61.09 -33.24 73.03 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.313 -0.867 . . . . 0.0 111.394 171.168 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.55 -1.33 6.48 Favored 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.201 1.8 . . . . 0.0 115.047 170.276 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.0 mttm -109.4 -44.66 3.86 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 125.952 1.701 . . . . 0.0 111.18 164.409 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -61.93 -66.05 0.45 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.398 0 C-N-CA 122.914 0.486 . . . . 0.0 110.71 -172.587 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.21 -21.93 62.08 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-N 117.981 0.355 . . . . 0.0 111.279 -178.809 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -63.03 -36.87 85.02 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-N 117.843 0.292 . . . . 0.0 111.021 173.097 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 79.4 m-20 -70.54 -48.47 55.35 Favored 'General case' 0 C--O 1.231 0.121 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 168.639 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.09 -24.69 41.78 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.159 0.89 . . . . 0.0 113.248 177.965 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -69.25 -34.32 74.62 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.702 0.801 . . . . 0.0 111.419 179.555 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 46.1 mtmt -82.55 -42.14 18.73 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.945 1.698 . . . . 0.0 111.215 175.526 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.6 m170 -48.34 -50.38 30.59 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 126.118 1.767 . . . . 0.0 114.253 -173.908 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.0 mt -61.26 -34.72 61.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 C-N-CA 123.346 0.658 . . . . 0.0 112.145 -175.016 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -83.35 -35.27 25.29 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.03 0.752 . . . . 0.0 113.03 169.562 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.8 m0 -55.43 -28.53 54.82 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 114.794 1.405 . . . . 0.0 114.794 173.271 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.3 pp -103.32 19.48 19.59 Favored 'General case' 0 N--CA 1.48 1.042 0 N-CA-C 114.93 1.456 . . . . 0.0 114.93 171.79 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -123.98 -34.26 3.01 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 125.365 1.466 . . . . 0.0 112.16 170.201 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 92.7 m -53.44 -42.41 67.09 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 125.65 1.58 . . . . 0.0 111.822 175.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 6.1 mm -59.57 -37.51 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.021 0 C-N-CA 124.557 1.143 . . . . 0.0 112.304 176.153 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 19.8 mt -80.09 -24.93 40.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.191 1.396 . . . . 0.0 113.405 -168.934 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 158.88 -15.14 0.24 Allowed Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.225 1.393 . . . . 0.0 114.293 -177.998 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.262 0 O-C-N 120.555 -1.556 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.191 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -56.69 -28.29 60.57 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -54.38 -32.45 57.05 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 125.152 1.381 . . . . 0.0 113.834 174.108 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 66.5 mt -63.17 -51.9 64.53 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.922 1.289 . . . . 0.0 111.521 174.887 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.8 ttt180 -60.39 -41.01 92.93 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.155 0.982 . . . . 0.0 111.233 175.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -58.84 -37.91 77.52 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 124.24 1.016 . . . . 0.0 112.156 173.308 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.82 -52.87 46.98 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.624 1.57 . . . . 0.0 113.044 175.839 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.31 -43.32 96.47 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.663 0.785 . . . . 0.0 112.893 177.005 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . 0.414 ' HA ' ' HE3' ' B' ' 8' ' ' LYS . 0.0 OUTLIER -74.41 58.36 0.75 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 126.121 1.768 . . . . 0.0 113.087 -179.924 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 179.97 -28.75 0.05 OUTLIER Glycine 0 CA--C 1.523 0.564 0 N-CA-C 117.923 1.929 . . . . 0.0 117.923 171.795 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -56.9 -36.49 70.21 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.984 0.914 . . . . 0.0 112.411 176.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 tp -68.36 -34.41 76.02 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 126.909 2.084 . . . . 0.0 111.829 179.351 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -67.62 -19.6 65.24 Favored 'General case' 0 CA--C 1.541 0.63 0 C-N-CA 125.697 1.599 . . . . 0.0 112.854 172.653 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.17 -49.98 5.32 Favored Glycine 0 CA--C 1.531 1.069 0 N-CA-C 111.444 -0.663 . . . . 0.0 111.444 165.929 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.7 mt -49.43 -43.62 17.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 C-N-CA 124.639 1.176 . . . . 0.0 112.425 -176.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 25.2 ttmt -87.57 -13.75 42.06 Favored 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 -170.098 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -88.76 -36.5 16.08 Favored 'General case' 0 CA--C 1.53 0.211 0 C-N-CA 125.104 1.362 . . . . 0.0 111.544 171.707 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 13.3 m-85 -56.69 -40.56 75.82 Favored 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 177.139 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -68.0 -24.66 65.15 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -82.4 -37.25 25.8 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.018 0.927 . . . . 0.0 111.946 171.552 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -60.07 -34.46 73.46 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.345 1.058 . . . . 0.0 112.404 177.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 38.4 tp -60.6 -30.39 69.8 Favored 'General case' 0 CA--C 1.533 0.303 0 N-CA-C 113.267 0.84 . . . . 0.0 113.267 172.814 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -64.51 -31.18 72.28 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 120.182 1.356 . . . . 0.0 112.31 177.861 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -82.37 -15.5 52.51 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 176.749 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 50.6 p -128.6 -25.28 2.9 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 114.673 1.36 . . . . 0.0 114.673 -170.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 60.6 m-70 42.29 23.5 0.02 OUTLIER 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.67 2.788 . . . . 0.0 116.051 -166.755 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . 0.452 HD21 HD12 ' B' ' 29' ' ' LEU . 0.3 OUTLIER -62.46 148.56 90.02 Favored Pre-proline 0 CA--C 1.556 1.178 0 C-N-CA 125.367 1.467 . . . . 0.0 114.865 -176.402 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 91.3 Cg_endo -77.95 -5.89 15.54 Favored 'Trans proline' 0 CA--C 1.543 0.936 0 C-N-CA 123.142 2.561 . . . . 0.0 113.668 168.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 99.1 t -89.49 -35.64 7.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 124.483 1.113 . . . . 0.0 113.102 -171.256 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.452 HD12 HD21 ' B' ' 26' ' ' ASN . 52.1 mt -61.64 -30.87 70.99 Favored 'General case' 0 N--CA 1.456 -0.148 0 CA-C-N 119.905 1.23 . . . . 0.0 112.388 167.64 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.3 -45.58 72.58 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 118.848 0.749 . . . . 0.0 110.562 175.759 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.6 mttp -69.19 -42.1 76.28 Favored 'General case' 0 N--CA 1.473 0.688 0 N-CA-C 113.774 1.028 . . . . 0.0 113.774 172.452 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 72.7 mt -56.73 -63.83 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.314 0 C-N-CA 123.387 0.675 . . . . 0.0 110.131 178.933 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.4 pp -70.27 -23.33 62.87 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.001 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -63.75 -41.38 98.02 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.592 0.633 . . . . 0.0 111.835 169.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -69.33 -43.92 72.7 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 119.51 1.05 . . . . 0.0 111.842 -179.066 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 56.3 mm-40 -56.11 -25.29 45.32 Favored 'General case' 0 CA--C 1.54 0.559 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 174.185 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -68.9 -27.08 65.47 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.64 0.776 . . . . 0.0 111.401 179.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -46.05 10.83 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 118.318 -0.849 . . . . 0.0 112.115 167.341 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -47.03 -45.73 21.57 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 115.179 1.548 . . . . 0.0 115.179 -164.1 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 82.4 mt -63.09 -44.64 99.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 C-N-CA 122.85 0.46 . . . . 0.0 110.943 -178.838 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -76.02 -32.74 59.51 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 121.618 -0.676 . . . . 0.0 112.655 175.575 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.3 m0 -55.98 -45.27 78.99 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 125.127 1.371 . . . . 0.0 113.565 170.5 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.5 pp -82.38 -28.56 31.42 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 119.249 0.931 . . . . 0.0 113.447 177.265 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -72.67 -32.7 66.01 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 119.174 0.897 . . . . 0.0 113.046 173.403 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 22.9 m -55.77 -34.14 64.97 Favored 'General case' 0 N--CA 1.482 1.163 0 CA-C-N 119.467 1.031 . . . . 0.0 112.458 -179.807 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . 0.419 HG21 ' HB ' ' A' ' 24' ' ' THR . 8.8 mm -66.59 -29.26 45.92 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 123.596 0.758 . . . . 0.0 112.408 179.609 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 77.5 mt -76.98 -5.86 50.32 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.148 1.379 . . . . 0.0 114.278 -173.844 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.59 14.79 2.02 Favored Glycine 0 CA--C 1.536 1.36 0 C-N-CA 125.064 1.316 . . . . 0.0 114.529 178.28 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.306 0 O-C-N 120.596 -1.532 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.038 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.08 -28.52 0.51 Allowed 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.75 1.22 . . . . 0.0 113.775 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 30.3 p90 -53.02 -32.03 44.42 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.329 1.452 . . . . 0.0 114.063 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 61.6 mt -59.81 -48.67 80.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.921 1.688 . . . . 0.0 111.653 -179.992 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -41.67 98.13 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.792 0.837 . . . . 0.0 111.238 175.574 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -63.17 -41.36 99.22 Favored 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 111.749 0.278 . . . . 0.0 111.749 175.941 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.7 -61.43 2.62 Favored 'General case' 0 N--CA 1.463 0.182 0 C-N-CA 125.797 1.639 . . . . 0.0 112.122 173.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.7 mp -57.11 -48.69 78.0 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.543 -0.741 . . . . 0.0 112.631 179.932 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 28.0 mmtp -61.51 -36.4 80.43 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 119.854 1.207 . . . . 0.0 113.041 179.458 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -83.91 -37.81 11.12 Favored Glycine 0 C--N 1.332 0.359 0 N-CA-C 115.323 0.889 . . . . 0.0 115.323 -178.037 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.43 -40.59 91.6 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 118.42 -0.8 . . . . 0.0 110.39 166.971 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . 0.258 0.2 OUTLIER -69.07 -30.18 68.45 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 119.834 1.197 . . . . 0.0 113.674 179.959 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -61.79 -26.18 67.94 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 125.361 1.464 . . . . 0.0 112.261 174.524 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.42 -33.41 35.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.102 0.858 . . . . 0.0 111.97 177.645 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.0 mm -56.53 -46.89 82.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 CA-C-N 118.161 0.981 . . . . 0.0 111.101 179.409 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -69.88 -29.29 66.47 Favored 'General case' 0 N--CA 1.468 0.456 0 N-CA-C 113.235 0.828 . . . . 0.0 113.235 -177.273 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -82.01 -36.91 27.3 Favored 'General case' 0 CA--C 1.531 0.234 0 C-N-CA 124.436 1.094 . . . . 0.0 112.889 -178.104 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -61.66 -32.81 73.0 Favored 'General case' 0 C--O 1.234 0.282 0 N-CA-C 113.88 1.067 . . . . 0.0 113.88 173.44 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.8 ttt-85 -66.06 -28.47 68.86 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.223 0.919 . . . . 0.0 112.896 178.048 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.18 -29.04 64.69 Favored 'General case' 0 CA--C 1.542 0.654 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 172.108 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -80.61 -32.33 36.41 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 -166.576 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 34.7 tp -61.04 -32.0 71.62 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.364 1.438 . . . . 0.0 111.681 172.353 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -62.15 -18.39 60.76 Favored 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.406 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -111.88 -1.49 15.49 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 127.654 2.381 . . . . 0.0 112.276 -173.677 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.2 p -140.72 -34.17 0.52 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 114.07 1.137 . . . . 0.0 114.07 -170.395 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 43.73 37.38 1.58 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 127.51 2.324 . . . . 0.0 113.368 -174.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -102.56 148.6 35.73 Favored Pre-proline 0 CA--C 1.543 0.692 0 C-N-CA 125.878 1.671 . . . . 0.0 112.426 -175.063 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_endo -70.45 -7.54 21.5 Favored 'Trans proline' 0 CA--C 1.537 0.667 0 C-N-CA 123.438 2.759 . . . . 0.0 113.549 -179.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 1.7 t -73.06 -37.64 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.274 0 O-C-N 121.303 -0.873 . . . . 0.0 111.694 -175.302 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.04 -38.06 78.45 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 119.643 1.111 . . . . 0.0 111.516 173.155 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.44 4.48 1.34 Allowed 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.644 1.577 . . . . 0.0 114.589 173.176 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -117.09 -43.02 2.88 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 126.374 1.87 . . . . 0.0 111.893 163.402 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.8 mt -64.81 -67.32 0.4 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-N 118.385 0.539 . . . . 0.0 111.333 -172.918 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.1 pp -68.42 -23.85 64.67 Favored 'General case' 0 CA--C 1.537 0.478 0 O-C-N 121.821 -0.55 . . . . 0.0 111.559 178.892 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -62.08 -37.29 84.5 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.44 0.696 . . . . 0.0 110.638 174.683 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -73.33 -45.4 55.51 Favored 'General case' 0 C--N 1.338 0.108 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 167.704 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -56.14 -26.74 51.39 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.952 1.251 . . . . 0.0 113.617 178.045 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.61 -32.46 73.2 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.236 0.614 . . . . 0.0 110.999 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 49.9 mtmt -83.53 -44.96 14.11 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 125.983 1.713 . . . . 0.0 111.339 174.078 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.9 m170 -48.99 -44.38 41.01 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 126.477 1.911 . . . . 0.0 114.986 -171.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 54.4 mt -62.32 -46.74 95.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 123.722 0.809 . . . . 0.0 110.904 -178.503 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 15.0 tt0 -74.49 -34.82 63.18 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 122.56 0.344 . . . . 0.0 111.725 175.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.415 ' HB3' HD11 ' B' ' 32' ' ' ILE . 12.0 m0 -56.08 -32.41 64.1 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.661 1.584 . . . . 0.0 114.937 175.462 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -87.83 -21.37 25.09 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 120.844 1.656 . . . . 0.0 113.527 171.728 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -79.64 -39.95 30.32 Favored 'General case' 0 N--CA 1.468 0.439 0 C-N-CA 124.723 1.209 . . . . 0.0 112.564 179.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 21.2 m -49.25 -34.54 15.3 Favored 'General case' 0 N--CA 1.47 0.552 0 C-N-CA 124.838 1.255 . . . . 0.0 112.403 173.516 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 11.2 mm -67.65 -48.37 76.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 125.651 1.58 . . . . 0.0 113.234 -179.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -164.05 71.29 0.22 Allowed 'General case' 0 CA--C 1.545 0.754 0 C-N-CA 125.912 1.685 . . . . 0.0 112.837 -174.059 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.6 -168.49 40.09 Favored Glycine 0 CA--C 1.535 1.3 0 C-N-CA 124.563 1.077 . . . . 0.0 113.456 -177.413 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 120.842 -1.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.227 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.58 -31.44 46.83 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.055 1.342 . . . . 0.0 114.243 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 26.3 p90 -55.57 -33.75 64.17 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.069 1.348 . . . . 0.0 113.906 176.101 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.37 -50.38 71.8 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.695 1.198 . . . . 0.0 111.128 178.977 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.0 ttt180 -62.32 -38.98 91.54 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.049 0.386 . . . . 0.0 111.622 177.25 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.96 -40.13 94.52 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 123.605 0.762 . . . . 0.0 112.256 175.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 mp -59.91 -62.41 1.89 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.126 1.77 . . . . 0.0 111.938 169.794 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.29 -51.4 34.21 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.392 1.477 . . . . 0.0 112.805 -179.215 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.27 -27.76 60.9 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 113.72 1.008 . . . . 0.0 113.72 -176.263 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -85.2 -28.5 30.55 Favored Glycine 0 CA--C 1.521 0.455 0 N-CA-C 115.29 0.876 . . . . 0.0 115.29 -174.751 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -60.14 -41.77 93.42 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.676 0.79 . . . . 0.0 110.669 168.444 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.34 -38.33 73.96 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.391 1.476 . . . . 0.0 111.921 172.128 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -72.87 -1.12 15.55 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 126.517 1.927 . . . . 0.0 113.355 177.26 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -111.12 -36.5 1.8 Allowed Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.792 1.186 . . . . 0.0 113.256 163.816 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 56.3 mt -54.13 -49.23 63.19 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.197 0 CA-C-N 118.988 1.394 . . . . 0.0 112.054 -175.873 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 13.8 mttt -65.81 -31.75 72.9 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 -176.667 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -78.29 -36.11 47.06 Favored 'General case' 0 CA--C 1.534 0.355 0 C-N-CA 126.15 1.78 . . . . 0.0 111.965 -178.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.539 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 20.8 m-85 -60.34 -36.39 77.87 Favored 'General case' 0 C--O 1.234 0.287 0 C-N-CA 123.664 0.786 . . . . 0.0 112.712 173.001 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 29.2 mtt180 -64.4 -38.88 92.58 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 178.862 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -67.74 -36.84 81.28 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.078 0.951 . . . . 0.0 112.263 172.764 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.34 -35.15 77.33 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.839 0.855 . . . . 0.0 112.658 -179.602 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 37.8 tp -64.47 -36.65 84.87 Favored 'General case' 0 N--CA 1.468 0.441 0 O-C-N 121.39 -0.819 . . . . 0.0 112.379 171.658 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -61.53 -30.19 70.48 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 120.038 1.29 . . . . 0.0 112.944 178.076 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -81.38 -8.72 59.78 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 116.078 1.881 . . . . 0.0 116.078 174.739 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 75.4 p -136.01 -28.55 1.06 Allowed 'General case' 0 N--CA 1.489 1.518 0 N-CA-C 114.472 1.286 . . . . 0.0 114.472 -169.782 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.256 35.6 m-70 47.08 13.42 0.02 OUTLIER 'General case' 0 CA--C 1.561 1.398 0 C-N-CA 129.626 3.171 . . . . 0.0 116.252 -167.905 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -72.75 140.15 81.04 Favored Pre-proline 0 CA--C 1.551 0.997 0 C-N-CA 125.513 1.525 . . . . 0.0 113.804 -175.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -66.92 -18.43 52.33 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 123.625 2.884 . . . . 0.0 113.359 -176.013 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 16.0 t -69.81 -45.64 76.63 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 124.262 1.025 . . . . 0.0 112.479 -178.346 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.402 ' H ' HD12 ' B' ' 29' ' ' LEU . 5.4 mp -64.06 -35.66 81.47 Favored 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 119.412 1.006 . . . . 0.0 111.181 175.398 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -59.66 -46.55 88.68 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 118.566 -0.73 . . . . 0.0 111.625 170.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -60.33 -40.51 90.88 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.056 1.298 . . . . 0.0 113.388 174.714 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.539 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 69.7 mt -59.14 -63.53 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 124.1 0.96 . . . . 0.0 109.496 176.437 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -66.47 -24.12 66.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -178.51 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -64.45 -41.31 96.61 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 117.899 0.318 . . . . 0.0 111.095 171.657 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -71.96 -43.89 64.46 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 176.508 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -56.66 -23.39 41.24 Favored 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 177.033 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.67 -33.88 75.8 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 123.046 0.538 . . . . 0.0 111.656 176.887 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.58 -46.29 19.73 Favored 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 118.515 -0.755 . . . . 0.0 111.459 171.388 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 20.4 m170 -46.81 -45.75 20.24 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.869 1.668 . . . . 0.0 115.116 -165.934 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 84.4 mt -60.29 -48.2 89.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.617 0.367 . . . . 0.0 111.216 179.036 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -74.15 -35.37 64.04 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.834 -0.541 . . . . 0.0 112.211 177.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 10.6 m0 -53.41 -44.44 68.73 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.462 1.505 . . . . 0.0 112.757 170.94 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.97 -26.22 40.08 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 119.279 0.945 . . . . 0.0 113.163 177.895 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -72.06 -41.0 67.91 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.395 -0.815 . . . . 0.0 112.887 174.846 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 20.7 m -56.59 -25.95 54.03 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.609 1.164 . . . . 0.0 113.492 -177.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 8.1 mt -63.9 -48.08 87.81 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.633 0 C-N-CA 124.481 1.112 . . . . 0.0 112.033 -179.857 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 1.8 pp -166.75 -29.03 0.03 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.754 1.621 . . . . 0.0 113.856 178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 70.91 18.29 76.08 Favored Glycine 0 CA--C 1.538 1.504 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 165.581 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.439 0 O-C-N 120.422 -1.634 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -138.04 -25.41 0.97 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.76 1.224 . . . . 0.0 113.742 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -53.16 -36.73 61.2 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 125.099 1.359 . . . . 0.0 112.991 179.587 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 82.9 mt -65.76 -41.54 91.99 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.382 1.073 . . . . 0.0 111.377 -173.456 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.6 ttm180 -61.82 -47.03 86.92 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.766 -0.635 . . . . 0.0 110.64 168.309 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.7 -31.62 70.88 Favored 'General case' 0 CA--C 1.549 0.917 0 CA-C-N 119.168 0.895 . . . . 0.0 113.204 179.422 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -73.47 -63.03 1.28 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.978 2.111 . . . . 0.0 112.403 174.97 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.7 mp -65.17 -41.28 94.81 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -179.192 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 71.0 tttt -74.56 49.91 0.4 Allowed 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.808 1.243 . . . . 0.0 112.848 174.341 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.28 -30.01 0.03 OUTLIER Glycine 0 CA--C 1.517 0.189 0 N-CA-C 118.14 2.016 . . . . 0.0 118.14 165.841 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -60.75 -33.6 73.17 Favored 'General case' 0 N--CA 1.479 0.978 0 CA-C-N 118.951 1.375 . . . . 0.0 112.241 174.047 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.0 -32.12 73.7 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.402 -0.811 . . . . 0.0 112.099 178.595 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 22.0 tt0 -64.08 -24.56 67.74 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.579 1.552 . . . . 0.0 112.205 177.82 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.5 -44.68 6.42 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.363 -0.687 . . . . 0.0 111.913 173.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 95.0 mt -55.07 -46.93 77.54 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 CA-C-N 118.332 1.066 . . . . 0.0 110.962 -175.972 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.63 -17.68 61.13 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -176.309 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 57.4 mm-40 -88.8 -36.23 16.18 Favored 'General case' 0 CA--C 1.531 0.229 0 C-N-CA 124.542 1.137 . . . . 0.0 111.997 175.155 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -60.26 -39.77 87.94 Favored 'General case' 0 CA--C 1.533 0.288 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 176.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -62.42 -32.5 73.35 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 177.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -78.79 -33.33 46.38 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.529 1.532 . . . . 0.0 112.768 175.571 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.22 -36.4 79.45 Favored 'General case' 0 CA--C 1.533 0.32 0 C-N-CA 125.027 1.331 . . . . 0.0 113.249 -177.413 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.1 tt -55.28 -29.95 59.16 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-N 118.584 0.629 . . . . 0.0 111.769 175.853 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.76 -21.54 66.79 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 114.738 1.384 . . . . 0.0 114.738 177.494 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -114.57 7.69 16.16 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.601 1.56 . . . . 0.0 111.705 -173.86 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.416 ' HB ' HD22 ' A' ' 26' ' ' ASN . 69.6 p -137.4 -39.17 0.59 Allowed 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 125.494 1.518 . . . . 0.0 113.1 -179.71 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 48.1 m-70 42.48 41.64 2.38 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.898 2.479 . . . . 0.0 113.66 -171.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.416 HD22 ' HB ' ' A' ' 24' ' ' THR . 72.9 m-20 -102.14 146.43 32.28 Favored Pre-proline 0 N--CA 1.472 0.662 0 C-N-CA 124.657 1.183 . . . . 0.0 113.278 -174.839 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -70.85 -11.35 29.29 Favored 'Trans proline' 0 C--N 1.353 0.784 0 C-N-CA 123.548 2.832 . . . . 0.0 113.346 -173.987 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 23.3 m -66.47 -37.1 78.9 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.221 0 O-C-N 121.433 -0.792 . . . . 0.0 112.424 177.048 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.9 mp -66.54 -29.07 69.06 Favored 'General case' 0 CA--C 1.54 0.565 0 O-C-N 121.05 -1.031 . . . . 0.0 111.933 179.573 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.51 1.56 4.98 Favored 'General case' 0 CA--C 1.552 1.036 0 C-N-CA 125.314 1.445 . . . . 0.0 114.257 169.727 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -117.48 -45.26 2.72 Favored 'General case' 0 N--CA 1.468 0.437 0 C-N-CA 126.78 2.032 . . . . 0.0 111.357 168.486 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.4 -64.4 0.68 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 C-N-CA 124.01 0.924 . . . . 0.0 110.513 -173.683 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.26 -24.87 60.51 Favored 'General case' 0 CA--C 1.532 0.258 0 O-C-N 122.087 -0.383 . . . . 0.0 110.828 -178.712 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -59.34 -37.19 77.22 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-N 117.642 0.201 . . . . 0.0 110.757 171.762 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.443 ' HA ' ' HE2' ' A' ' 38' ' ' LYS . 82.1 m-20 -78.63 -42.05 29.87 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 171.141 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -57.37 -27.12 62.02 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 121.036 1.744 . . . . 0.0 113.23 174.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 16.0 tm-20 -67.91 -28.58 67.62 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.071 0.948 . . . . 0.0 111.591 178.357 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.443 ' HE2' ' HA ' ' A' ' 35' ' ' ASP . 49.9 mtmt -87.3 -42.42 12.92 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.972 1.709 . . . . 0.0 112.008 173.159 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -50.42 -44.61 55.29 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 126.341 1.856 . . . . 0.0 115.01 -170.406 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.67 -42.76 97.13 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 CA-C-N 118.403 0.547 . . . . 0.0 111.826 178.116 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -73.16 -36.55 66.63 Favored 'General case' 0 N--CA 1.467 0.377 0 O-C-N 121.682 -0.636 . . . . 0.0 111.918 175.247 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.1 m0 -53.56 -37.65 63.09 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.448 1.499 . . . . 0.0 114.141 174.482 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.7 pp -87.08 -15.21 39.22 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 115.151 1.537 . . . . 0.0 115.151 172.185 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -84.19 -36.63 22.66 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.81 1.244 . . . . 0.0 112.467 174.876 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 39.8 m -51.21 -37.09 44.81 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.226 1.41 . . . . 0.0 112.282 173.506 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 12.3 mm -54.85 -40.33 52.14 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 125.069 1.348 . . . . 0.0 112.552 174.092 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 31.4 mt -86.06 -28.84 23.85 Favored 'General case' 0 CA--C 1.539 0.54 0 C-N-CA 125.349 1.46 . . . . 0.0 113.498 -164.494 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 177.08 24.17 0.03 OUTLIER Glycine 0 CA--C 1.536 1.406 0 C-N-CA 124.201 0.905 . . . . 0.0 114.97 -177.271 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.246 0 O-C-N 120.501 -1.588 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.226 -0.173 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -58.57 -26.99 64.18 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 114.403 1.26 . . . . 0.0 114.403 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 50.0 p90 -58.57 -33.14 69.6 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.832 1.253 . . . . 0.0 113.794 174.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 28.3 mt -64.41 -48.47 75.28 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 124.717 1.207 . . . . 0.0 110.943 175.462 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -57.27 -39.34 75.46 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.083 1.353 . . . . 0.0 111.923 176.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -67.26 -38.85 85.81 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.967 0.907 . . . . 0.0 112.608 175.035 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.3 tp -61.44 -43.59 98.61 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.381 1.472 . . . . 0.0 113.297 177.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.69 8.67 0.04 OUTLIER 'General case' 0 CA--C 1.561 1.383 0 C-N-CA 128.257 2.623 . . . . 0.0 116.614 -178.513 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -144.32 65.73 1.28 Allowed 'General case' 0 C--N 1.352 0.685 0 CA-C-N 122.483 2.402 . . . . 0.0 110.291 -156.57 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 154.18 -26.61 0.7 Allowed Glycine 0 CA--C 1.522 0.523 0 C-N-CA 125.148 1.356 . . . . 0.0 114.711 -171.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.31 -37.76 38.16 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.265 1.026 . . . . 0.0 112.158 168.223 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -92.1 -15.39 27.81 Favored 'General case' 0 CA--C 1.516 -0.346 0 C-N-CA 126.074 1.749 . . . . 0.0 115.4 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -62.33 -19.89 63.79 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-O 119.265 -0.397 . . . . 0.0 110.528 153.697 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -84.63 -52.83 3.39 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.894 1.235 . . . . 0.0 112.951 164.855 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.3 mt -50.13 -48.06 24.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 CA-C-N 119.306 1.553 . . . . 0.0 111.371 -179.196 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.52 -19.64 60.28 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 114.779 1.4 . . . . 0.0 114.779 -176.365 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 16.6 mm100 -83.54 -43.32 15.84 Favored 'General case' 0 C--N 1.334 -0.072 0 C-N-CA 124.969 1.308 . . . . 0.0 111.739 172.769 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -58.98 -41.4 87.49 Favored 'General case' 0 C--O 1.233 0.229 0 C-N-CA 123.336 0.654 . . . . 0.0 112.704 179.051 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 -66.54 -24.05 66.32 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -179.994 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -85.32 -36.68 20.66 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.975 1.31 . . . . 0.0 112.147 174.533 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.83 -25.93 67.43 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.461 1.904 . . . . 0.0 113.698 -177.405 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 7.7 tt -59.31 -26.34 64.91 Favored 'General case' 0 N--CA 1.469 0.489 0 O-C-N 121.575 -0.703 . . . . 0.0 112.023 171.926 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.35 -26.57 68.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.73 1.011 . . . . 0.0 113.73 176.499 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 76.3 m-85 -102.71 -35.98 8.47 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.749 1.219 . . . . 0.0 113.563 175.818 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 77.6 p -89.87 -26.52 20.44 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.241 1.2 . . . . 0.0 114.241 -175.381 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 42.7 m-70 42.64 26.28 0.06 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 128.057 2.543 . . . . 0.0 116.786 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -99.24 148.75 35.06 Favored Pre-proline 0 CA--C 1.549 0.94 0 O-C-N 120.529 -1.357 . . . . 0.0 113.187 -170.346 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -70.5 -12.61 31.76 Favored 'Trans proline' 0 C--N 1.354 0.838 0 C-N-CA 123.987 3.124 . . . . 0.0 113.313 178.24 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 12.0 t -67.93 -30.36 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 125.498 1.519 . . . . 0.0 112.588 179.71 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.2 mp -66.88 -31.0 71.31 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 120.672 -1.268 . . . . 0.0 111.4 173.566 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.44 11.81 0.42 Allowed 'General case' 0 CA--C 1.554 1.1 0 C-N-CA 124.903 1.281 . . . . 0.0 114.147 167.397 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 83.1 mttt -119.06 -48.2 2.45 Favored 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.915 2.086 . . . . 0.0 110.283 164.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 52.5 mt -62.21 -69.03 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 C-N-CA 123.93 0.892 . . . . 0.0 110.661 -178.81 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.06 -26.26 65.76 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 118.423 0.556 . . . . 0.0 111.683 -178.904 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.77 -34.74 77.86 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 111.963 0.357 . . . . 0.0 111.963 173.077 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.567 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 81.5 m-20 -80.62 -39.31 27.68 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 114.225 1.194 . . . . 0.0 114.225 172.148 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 38.7 mm-40 -57.94 -26.16 61.9 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.126 1.33 . . . . 0.0 112.903 174.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -64.21 -33.12 75.07 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.559 0.744 . . . . 0.0 111.337 175.634 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.567 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 48.5 mtmt -85.19 -43.85 13.44 Favored 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.632 1.573 . . . . 0.0 111.405 176.944 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 23.0 m170 -47.49 -48.69 26.95 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 126.582 1.953 . . . . 0.0 114.702 -170.519 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.04 -47.41 93.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 122.821 0.448 . . . . 0.0 111.326 -179.198 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -68.47 -38.91 81.49 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 121.9 -0.5 . . . . 0.0 111.363 175.789 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.0 m0 -55.47 -35.61 65.71 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 125.143 1.377 . . . . 0.0 114.22 175.806 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.9 0.4 55.9 Favored 'General case' 0 CA--C 1.548 0.87 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 173.728 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -123.26 -34.4 3.13 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 119.378 0.99 . . . . 0.0 113.592 -172.347 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 17.1 m -54.58 -32.0 57.84 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.914 1.286 . . . . 0.0 112.323 176.681 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 30.7 mm -68.71 -31.86 52.61 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.575 0 C-N-CA 126.177 1.791 . . . . 0.0 113.498 -179.902 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 76.0 mt -77.72 -22.09 50.91 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -162.578 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . -179.03 21.01 0.04 OUTLIER Glycine 0 CA--C 1.536 1.369 0 N-CA-C 115.216 0.847 . . . . 0.0 115.216 -178.049 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.358 0 O-C-N 120.53 -1.571 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.032 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.9 t70 -144.34 -31.18 0.45 Allowed 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.713 1.205 . . . . 0.0 113.607 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 32.1 p90 -55.47 -33.79 63.97 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.919 1.287 . . . . 0.0 113.66 178.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.0 mt -62.31 -48.37 80.16 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.939 1.296 . . . . 0.0 111.116 176.27 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.5 ttt85 -60.53 -44.25 96.28 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 118.992 -0.527 . . . . 0.0 110.465 174.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 41.9 tp10 -59.5 -39.45 83.82 Favored 'General case' 0 CA--C 1.548 0.894 0 N-CA-C 112.956 0.724 . . . . 0.0 112.956 176.165 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 mp -63.4 -58.38 7.26 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 126.406 1.882 . . . . 0.0 112.768 174.751 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 5.2 mp -62.04 -37.6 85.55 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.923 0.889 . . . . 0.0 112.756 178.465 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 15.4 tptp -73.44 28.16 0.07 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.206 1.402 . . . . 0.0 113.924 172.701 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -152.27 -29.67 0.04 OUTLIER Glycine 0 C--N 1.329 0.163 0 N-CA-C 119.857 2.703 . . . . 0.0 119.857 164.791 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -60.4 -27.95 67.86 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 120.069 1.935 . . . . 0.0 113.364 176.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.14 67.55 Favored 'General case' 0 CA--C 1.538 0.483 0 CA-C-N 120.105 1.321 . . . . 0.0 113.693 177.183 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 11.4 tt0 -72.29 -9.93 59.13 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.781 2.032 . . . . 0.0 112.348 -177.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -93.89 -38.06 5.29 Favored Glycine 0 CA--C 1.532 1.1 0 CA-C-O 119.065 -0.853 . . . . 0.0 112.842 168.006 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.12 -47.25 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.144 0 CA-C-N 119.015 1.408 . . . . 0.0 111.262 -175.162 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.3 ttpp -67.33 -40.61 85.93 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-O 121.212 0.529 . . . . 0.0 112.178 -176.488 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -67.35 -40.54 85.84 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 124.68 1.192 . . . . 0.0 112.84 -178.868 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -57.64 -28.04 63.36 Favored 'General case' 0 C--O 1.234 0.273 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 174.229 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.8 mtm180 -66.79 -21.6 66.04 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 176.584 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -80.56 -31.58 36.84 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 113.126 0.787 . . . . 0.0 113.126 169.591 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.63 -29.65 67.19 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 114.971 1.471 . . . . 0.0 114.971 -173.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -62.43 -26.96 68.78 Favored 'General case' 0 N--CA 1.476 0.841 0 CA-C-N 120.057 1.299 . . . . 0.0 112.123 170.302 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.48 -23.54 65.5 Favored 'General case' 0 N--CA 1.475 0.784 0 O-C-N 121.28 -0.887 . . . . 0.0 113.257 176.403 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 1.6 m-85 -97.89 -41.77 7.87 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 125.191 1.396 . . . . 0.0 112.699 177.16 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.0 p -87.97 -31.02 19.6 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.748 1.018 . . . . 0.0 113.748 -176.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 42.62 35.54 0.69 Allowed 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.934 2.094 . . . . 0.0 114.341 -168.461 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -104.88 153.1 39.6 Favored Pre-proline 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.124 -172.87 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 98.5 Cg_endo -70.59 -8.51 23.78 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 123.714 2.943 . . . . 0.0 113.263 177.769 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -73.57 -32.82 37.3 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 O-C-N 121.424 -0.798 . . . . 0.0 112.233 -175.714 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -60.93 -37.45 82.35 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 121.097 -1.002 . . . . 0.0 111.559 172.954 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 17.66 0.07 Allowed 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 126.092 1.757 . . . . 0.0 114.069 169.055 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.1 tptm -134.16 -45.79 0.78 Allowed 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 127.99 2.516 . . . . 0.0 110.93 172.882 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 23.5 mt -67.11 -66.08 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.322 0 C-N-CA 123.771 0.828 . . . . 0.0 110.358 -179.438 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.2 -25.49 62.54 Favored 'General case' 0 N--CA 1.469 0.477 0 O-C-N 121.74 -0.6 . . . . 0.0 110.879 -179.625 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.0 tp10 -60.9 -29.16 69.42 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.094 0.957 . . . . 0.0 111.766 170.688 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -82.71 -44.71 15.33 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 166.112 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -57.89 -23.28 52.51 Favored 'General case' 0 CA--C 1.544 0.74 0 O-C-N 120.649 -1.282 . . . . 0.0 112.999 176.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -68.21 -31.2 70.54 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.723 0.809 . . . . 0.0 111.847 178.473 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.2 pttm -98.86 -26.88 14.15 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 126.024 1.73 . . . . 0.0 112.886 -178.979 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 9.9 m170 -53.24 -47.77 68.77 Favored 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 125.868 1.667 . . . . 0.0 114.897 177.522 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.41 -46.24 97.0 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 CA-C-N 118.656 0.662 . . . . 0.0 111.041 -178.313 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -70.97 -33.49 70.49 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 122.021 -0.425 . . . . 0.0 112.013 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 16.4 m0 -54.66 -34.9 62.91 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.883 1.273 . . . . 0.0 114.278 169.601 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 57.6 mt -64.13 -36.62 84.63 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 120.478 1.49 . . . . 0.0 113.354 171.123 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -72.43 -38.47 68.34 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.381 0.673 . . . . 0.0 112.379 175.847 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 97.5 m -50.56 -39.5 49.52 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.634 1.174 . . . . 0.0 112.234 173.56 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.8 mt -54.06 -42.53 55.37 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 124.389 1.076 . . . . 0.0 112.42 175.556 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 96.1 mt -67.9 -23.65 65.12 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 114.676 1.362 . . . . 0.0 114.676 -172.254 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 163.76 24.95 0.02 OUTLIER Glycine 0 CA--C 1.535 1.329 0 N-CA-C 115.803 1.081 . . . . 0.0 115.803 179.776 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.372 0 O-C-N 120.268 -1.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -55.02 -25.53 30.95 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 125.36 1.464 . . . . 0.0 114.182 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -49.38 -44.58 45.04 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.389 1.475 . . . . 0.0 113.697 171.871 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 81.7 mt -67.28 -43.8 80.91 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.808 -0.558 . . . . 0.0 111.027 179.65 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 75.4 ttt-85 -58.47 -42.48 87.59 Favored 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 123.412 0.685 . . . . 0.0 111.986 172.538 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -61.65 -37.11 82.81 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.558 0.743 . . . . 0.0 112.291 175.28 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -65.81 -54.73 23.0 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.345 1.458 . . . . 0.0 113.578 177.553 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 3.3 mp -60.07 -36.39 77.25 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 114.067 1.136 . . . . 0.0 114.067 179.86 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 40.4 tttm -85.49 66.27 9.59 Favored 'General case' 0 CA--C 1.532 0.255 0 C-N-CA 127.193 2.197 . . . . 0.0 111.226 -169.828 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 160.86 -26.6 0.29 Allowed Glycine 0 C--N 1.332 0.315 0 N-CA-C 116.773 1.469 . . . . 0.0 116.773 -178.195 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -57.33 -33.58 67.87 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 118.081 0.941 . . . . 0.0 111.509 173.114 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 2.1 pp -86.03 -17.43 35.23 Favored 'General case' 0 N--CA 1.463 0.178 0 C-N-CA 127.161 2.184 . . . . 0.0 115.404 174.391 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -70.86 -6.74 40.46 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.631 0.772 . . . . 0.0 111.242 158.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -99.17 -55.73 1.03 Allowed Glycine 0 CA--C 1.536 1.399 0 C-N-CA 125.945 1.736 . . . . 0.0 112.575 160.544 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -51.19 -53.16 16.01 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.534 0 CA-C-N 119.992 1.896 . . . . 0.0 111.992 -173.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 49.5 mttp -77.74 -19.66 54.79 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 113.74 1.015 . . . . 0.0 113.74 -176.237 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -77.34 -42.83 35.13 Favored 'General case' 0 N--CA 1.466 0.343 0 C-N-CA 124.117 0.967 . . . . 0.0 112.02 170.204 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -59.52 -39.32 83.49 Favored 'General case' 0 C--O 1.233 0.199 0 C-N-CA 123.786 0.834 . . . . 0.0 112.662 178.282 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -66.01 -26.15 67.4 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 112.948 0.722 . . . . 0.0 112.948 178.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -79.07 -32.24 44.69 Favored 'General case' 0 CA--C 1.547 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 112.848 173.159 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.26 -24.65 60.48 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 127.138 2.175 . . . . 0.0 114.039 -170.347 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -57.93 -28.13 64.0 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.474 1.034 . . . . 0.0 111.739 172.242 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -64.43 -27.22 68.84 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 176.733 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -103.38 2.53 34.06 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 126.601 1.96 . . . . 0.0 113.506 -179.025 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 65.7 p -139.38 -22.9 0.9 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 115.542 1.682 . . . . 0.0 115.542 -173.738 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 48.3 m-70 35.69 52.13 0.74 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 128.317 2.647 . . . . 0.0 115.655 -179.129 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -126.17 149.46 66.84 Favored Pre-proline 0 N--CA 1.479 0.988 0 C-N-CA 124.46 1.104 . . . . 0.0 113.975 -172.667 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -74.5 -11.55 22.49 Favored 'Trans proline' 0 C--N 1.355 0.876 0 C-N-CA 123.918 3.079 . . . . 0.0 113.593 178.45 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.4 t -66.75 -32.1 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.439 1.096 . . . . 0.0 112.494 -176.678 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mp -62.22 -32.93 73.66 Favored 'General case' 0 CA--C 1.538 0.514 0 O-C-N 121.3 -0.875 . . . . 0.0 111.647 173.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -70.73 7.46 1.12 Allowed 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 124.749 1.22 . . . . 0.0 114.258 171.495 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 3.0 mtpm? -118.22 -43.87 2.71 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 125.738 1.615 . . . . 0.0 111.692 161.619 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.9 mt -61.6 -64.88 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.492 0.717 . . . . 0.0 111.116 -179.715 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.62 -26.63 64.52 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 118.296 0.498 . . . . 0.0 111.767 179.619 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -60.03 -38.94 84.21 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 119.173 -0.441 . . . . 0.0 111.652 172.431 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -75.29 -43.93 48.48 Favored 'General case' 0 C--O 1.233 0.217 0 CA-C-N 119.306 0.957 . . . . 0.0 113.311 177.642 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -55.72 -25.19 39.03 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.83 . . . . 0.0 112.955 175.637 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 25.8 tt0 -66.17 -28.67 68.95 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 123.537 0.735 . . . . 0.0 111.852 177.932 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.57 -44.36 12.72 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 124.07 0.948 . . . . 0.0 112.221 169.202 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.0 m170 -47.07 -45.29 21.67 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 125.656 1.582 . . . . 0.0 114.708 -166.24 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 41.8 mt -61.38 -45.81 97.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 122.902 0.481 . . . . 0.0 111.79 178.463 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -78.27 -29.53 48.02 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.127 -0.983 . . . . 0.0 112.343 177.723 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 13.8 m0 -57.98 -42.58 85.38 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 125.215 1.406 . . . . 0.0 113.507 169.972 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.1 pp -76.46 -26.21 55.18 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 119.901 1.228 . . . . 0.0 113.289 175.578 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -87.73 -36.92 17.08 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 124.103 0.961 . . . . 0.0 113.081 -174.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 74.7 m -56.58 -30.26 62.97 Favored 'General case' 0 N--CA 1.482 1.147 0 C-N-CA 124.513 1.125 . . . . 0.0 112.569 -178.435 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 6.3 mm -58.74 -32.4 46.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 126.191 1.796 . . . . 0.0 112.85 178.771 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 39.7 mt -82.47 -18.46 41.61 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 124.737 1.215 . . . . 0.0 113.53 -165.629 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 169.91 19.51 0.02 OUTLIER Glycine 0 CA--C 1.537 1.454 0 N-CA-C 115.758 1.063 . . . . 0.0 115.758 -178.523 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.303 0 O-C-N 120.159 -1.789 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -144.95 -24.7 0.5 Allowed 'General case' 0 N--CA 1.48 1.036 0 N-CA-C 114.306 1.224 . . . . 0.0 114.306 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 29.8 p90 -52.36 -33.29 42.38 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 125.946 1.699 . . . . 0.0 115.001 -176.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 75.5 mt -63.73 -46.11 86.85 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 125.0 1.32 . . . . 0.0 111.749 179.013 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -62.8 -42.02 99.52 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 119.341 -0.361 . . . . 0.0 110.777 174.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -58.62 -41.0 84.92 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 122.832 0.453 . . . . 0.0 112.032 175.211 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -63.36 -61.77 2.13 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 125.764 1.626 . . . . 0.0 112.931 176.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 mp -58.19 -43.13 87.38 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.322 0.649 . . . . 0.0 112.609 -179.458 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 68.0 tttt -69.9 -4.45 20.53 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 114.074 1.138 . . . . 0.0 114.074 -176.214 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -118.8 -39.39 0.71 Allowed Glycine 0 C--N 1.339 0.697 0 N-CA-C 116.536 1.374 . . . . 0.0 116.536 178.756 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -58.78 -33.76 70.69 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 119.223 1.512 . . . . 0.0 112.6 172.003 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.14 -29.16 69.41 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 118.945 0.793 . . . . 0.0 113.136 179.814 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -72.97 -9.93 59.25 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 126.781 2.032 . . . . 0.0 112.548 -179.509 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -94.58 -39.96 4.56 Favored Glycine 0 CA--C 1.531 1.039 0 CA-C-O 118.455 -1.192 . . . . 0.0 112.595 169.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 91.3 mt -53.76 -47.6 62.38 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 119.202 1.501 . . . . 0.0 111.293 -175.134 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 13.0 ttmt -72.68 -30.63 64.4 Favored 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 123.89 0.876 . . . . 0.0 113.241 -171.402 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -80.09 -31.21 39.31 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 113.743 1.016 . . . . 0.0 113.743 177.346 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -56.01 -33.37 64.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 170.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -65.0 -23.26 67.16 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.238 1.015 . . . . 0.0 113.184 -179.018 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -85.96 -34.55 20.82 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 125.033 1.333 . . . . 0.0 112.58 175.773 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.09 -32.14 72.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.36 0.664 . . . . 0.0 112.745 -175.674 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.49 -30.75 68.77 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 124.029 0.932 . . . . 0.0 112.923 172.093 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.72 -27.26 65.78 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 119.879 1.218 . . . . 0.0 113.686 179.062 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -91.68 -8.34 47.33 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.11 1.364 . . . . 0.0 113.418 -177.92 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 66.9 p -142.7 -28.84 0.57 Allowed 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.8 1.408 . . . . 0.0 114.8 -168.002 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 63.3 m-70 44.91 28.51 0.37 Allowed 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 127.582 2.353 . . . . 0.0 115.006 -175.871 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -76.99 148.68 79.06 Favored Pre-proline 0 CA--C 1.551 0.99 0 C-N-CA 124.814 1.246 . . . . 0.0 112.775 -177.485 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -72.61 -10.45 25.21 Favored 'Trans proline' 0 C--N 1.352 0.739 0 C-N-CA 123.587 2.858 . . . . 0.0 113.498 -178.67 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.7 p -66.9 -36.12 76.39 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 C-N-CA 124.452 1.101 . . . . 0.0 112.189 -179.118 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mt -67.27 -35.7 80.05 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.378 1.071 . . . . 0.0 110.64 -179.545 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.51 12.82 0.16 Allowed 'General case' 0 CA--C 1.553 1.06 0 C-N-CA 126.211 1.805 . . . . 0.0 114.217 170.413 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.5 tttt -134.84 -42.05 0.75 Allowed 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 127.552 2.341 . . . . 0.0 111.577 177.294 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 27.9 mt -66.02 -70.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 C-N-CA 123.544 0.738 . . . . 0.0 111.217 176.128 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.84 -23.76 66.74 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 118.496 0.589 . . . . 0.0 111.533 -179.001 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -60.21 -39.34 86.27 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.708 0.803 . . . . 0.0 111.222 172.942 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 86.5 m-20 -71.6 -46.32 59.57 Favored 'General case' 0 C--N 1.342 0.267 0 N-CA-C 113.588 0.958 . . . . 0.0 113.588 168.32 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -57.08 -23.92 50.25 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 119.463 1.029 . . . . 0.0 113.768 178.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -69.49 -30.38 68.24 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.514 0.726 . . . . 0.0 111.839 179.368 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 47.4 mtmt -89.29 -39.9 13.17 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 126.845 2.058 . . . . 0.0 111.82 176.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.421 ' HA ' ' HB2' ' A' ' 42' ' ' TRP . 9.0 m170 -50.62 -48.34 57.99 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 125.863 1.665 . . . . 0.0 114.965 -173.083 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 61.9 mt -62.36 -34.86 66.54 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 CA-C-N 118.239 0.472 . . . . 0.0 111.768 -176.483 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -79.62 -38.28 34.21 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 118.228 0.467 . . . . 0.0 112.007 171.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.421 ' HB2' ' HA ' ' A' ' 39' ' ' HIS . 28.3 m0 -51.13 -36.02 38.57 Favored 'General case' 0 CA--C 1.552 1.056 0 N-CA-C 114.569 1.322 . . . . 0.0 114.569 172.418 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.8 pp -92.74 23.78 3.94 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 127.257 2.223 . . . . 0.0 115.896 174.13 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -138.83 -43.06 0.48 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 129.111 2.964 . . . . 0.0 110.564 -173.117 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 53.4 m -47.73 -37.36 13.05 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.397 1.479 . . . . 0.0 112.096 165.012 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -58.0 -35.06 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 125.733 1.613 . . . . 0.0 112.851 176.834 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 60.1 mt -77.11 -26.25 53.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 125.023 1.329 . . . . 0.0 113.733 -173.699 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 164.99 26.56 0.02 OUTLIER Glycine 0 CA--C 1.538 1.469 0 N-CA-C 115.558 0.983 . . . . 0.0 115.558 -177.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.368 0 O-C-N 120.314 -1.698 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.096 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -54.53 -28.24 44.0 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.081 1.353 . . . . 0.0 114.382 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -53.23 -40.85 64.83 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 125.166 1.386 . . . . 0.0 112.739 174.617 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 47.1 mt -63.87 -43.5 95.88 Favored 'General case' 0 N--CA 1.465 0.325 0 C-N-CA 124.569 1.148 . . . . 0.0 110.478 -175.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 9.9 ttt180 -59.74 -46.67 88.41 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.731 0.412 . . . . 0.0 111.136 171.801 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -63.89 -33.1 74.94 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.515 0.726 . . . . 0.0 112.847 -179.808 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 3.7 mp -70.93 -56.11 6.95 Favored 'General case' 0 N--CA 1.468 0.45 0 C-N-CA 127.281 2.233 . . . . 0.0 112.606 173.448 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 54.9 mt -52.53 -48.24 66.19 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.515 1.526 . . . . 0.0 111.624 178.428 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -77.09 59.11 1.65 Allowed 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 126.362 1.865 . . . . 0.0 113.44 -176.965 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -179.16 -18.71 0.03 OUTLIER Glycine 0 C--N 1.332 0.349 0 N-CA-C 118.079 1.991 . . . . 0.0 118.079 166.438 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -58.51 -32.45 68.83 Favored 'General case' 0 CA--C 1.558 1.268 0 O-C-N 121.846 -0.797 . . . . 0.0 112.013 176.64 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.1 pp -71.19 -21.66 62.12 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 128.195 2.598 . . . . 0.0 116.291 170.254 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 3.0 tt0 -66.65 -28.68 68.67 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 123.143 0.577 . . . . 0.0 110.495 167.243 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -76.73 -47.5 9.82 Favored Glycine 0 C--N 1.34 0.782 0 C-N-CA 124.792 1.186 . . . . 0.0 111.535 175.495 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mm -45.98 -49.9 4.59 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 C-N-CA 124.424 1.089 . . . . 0.0 111.585 178.227 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.6 mtpt -76.83 -21.32 55.22 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 113.969 1.099 . . . . 0.0 113.969 -174.418 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.3 mm-40 -82.32 -41.18 20.43 Favored 'General case' 0 N--CA 1.465 0.3 0 C-N-CA 124.199 0.999 . . . . 0.0 112.115 172.101 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 17.3 m-85 -61.69 -37.78 85.41 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 113.173 0.805 . . . . 0.0 113.173 -178.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -65.95 -32.02 73.28 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 177.04 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.43 -33.34 60.9 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.341 1.056 . . . . 0.0 112.685 174.737 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -68.57 -47.69 66.13 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.795 1.238 . . . . 0.0 113.123 178.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 tt -60.47 -27.43 67.54 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.595 1.088 . . . . 0.0 112.871 177.549 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -61.18 -27.47 68.43 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 172.733 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 30.2 m-85 -89.77 -51.99 5.22 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.817 1.247 . . . . 0.0 113.762 168.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 42.7 p -84.96 -17.46 37.6 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -169.741 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 20.3 m-70 48.5 31.93 3.11 Favored 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 127.774 2.43 . . . . 0.0 116.551 174.62 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -112.61 144.26 30.6 Favored Pre-proline 0 N--CA 1.48 1.072 0 O-C-N 120.541 -1.35 . . . . 0.0 113.659 -172.337 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -68.71 -17.37 42.55 Favored 'Trans proline' 0 C--N 1.354 0.853 0 C-N-CA 123.89 3.06 . . . . 0.0 113.132 -177.354 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 14.4 t -64.7 -42.03 93.88 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.31 0 C-N-CA 124.148 0.979 . . . . 0.0 112.13 178.5 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.46 ' H ' HD12 ' B' ' 29' ' ' LEU . 4.3 mp -63.95 -35.43 80.64 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-N 119.685 1.13 . . . . 0.0 111.651 174.829 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -60.4 -48.1 83.21 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 118.45 -0.785 . . . . 0.0 111.079 172.709 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.75 -39.63 81.51 Favored 'General case' 0 N--CA 1.481 1.092 0 CA-C-N 120.325 1.421 . . . . 0.0 113.953 172.702 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 93.7 mt -64.0 -59.71 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 123.894 0.878 . . . . 0.0 109.843 178.993 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -67.5 -29.26 68.64 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -178.425 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -61.09 -40.63 94.47 Favored 'General case' 0 N--CA 1.464 0.225 0 N-CA-C 110.081 -0.34 . . . . 0.0 110.081 174.042 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 42.1 m-20 -72.15 -42.87 65.45 Favored 'General case' 0 N--CA 1.452 -0.374 0 N-CA-C 113.906 1.076 . . . . 0.0 113.906 176.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -57.69 -26.65 62.01 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 119.799 1.181 . . . . 0.0 113.106 174.062 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.87 -31.22 66.23 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.256 0.622 . . . . 0.0 111.442 -176.946 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 63.4 pttt -91.74 -29.14 16.97 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 125.096 1.359 . . . . 0.0 113.224 174.589 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -55.19 -48.26 74.08 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.54 1.536 . . . . 0.0 114.887 179.089 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -59.95 -45.35 95.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.775 0 CA-C-N 119.14 0.882 . . . . 0.0 110.729 -175.492 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -75.43 -30.99 60.19 Favored 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 112.894 0.702 . . . . 0.0 112.894 174.574 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 17.3 m0 -52.51 -47.84 66.39 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 119.663 1.12 . . . . 0.0 112.877 168.73 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . 0.256 0.7 OUTLIER -87.47 15.95 6.02 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 115.304 1.594 . . . . 0.0 115.304 178.342 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -127.06 -28.75 2.85 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.137 0.975 . . . . 0.0 112.505 175.706 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 91.5 m -60.93 -31.3 70.84 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.39 1.076 . . . . 0.0 112.246 174.273 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 37.3 mm -67.31 -40.91 85.79 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 C-N-CA 125.156 1.383 . . . . 0.0 112.546 177.201 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 86.4 mt -72.72 -30.4 64.16 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -161.524 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 137.11 -18.99 3.48 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 125.122 1.344 . . . . 0.0 114.394 177.332 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 O-C-N 120.66 -1.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.002 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -136.65 -22.53 1.25 Allowed 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.808 1.243 . . . . 0.0 113.93 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 22.3 p90 -53.51 -33.62 55.13 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 125.065 1.346 . . . . 0.0 113.966 -178.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.5 mt -61.57 -51.74 67.3 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 125.963 1.705 . . . . 0.0 111.781 176.711 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 74.2 ttt-85 -64.18 -40.01 95.2 Favored 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.696 1.199 . . . . 0.0 110.855 177.306 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.7 tp10 -60.08 -40.25 88.91 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 123.606 0.762 . . . . 0.0 112.802 171.605 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.67 -52.96 62.17 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.712 1.605 . . . . 0.0 112.21 174.299 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.95 -43.69 91.3 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 125.541 1.536 . . . . 0.0 113.22 176.535 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -79.89 44.24 0.64 Allowed 'General case' 0 N--CA 1.482 1.152 0 C-N-CA 125.259 1.424 . . . . 0.0 112.201 176.827 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.93 -35.6 0.02 OUTLIER Glycine 0 CA--C 1.521 0.424 0 N-CA-C 117.933 1.933 . . . . 0.0 117.933 167.031 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.97 -31.11 68.44 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.72 1.26 . . . . 0.0 113.212 178.956 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.0 -33.19 75.24 Favored 'General case' 0 CA--C 1.542 0.663 0 O-C-N 121.154 -0.966 . . . . 0.0 112.062 -179.38 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 15.0 tm0? -67.82 -18.54 64.87 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 126.201 1.801 . . . . 0.0 111.966 178.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.43 -45.3 5.88 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 124.654 1.121 . . . . 0.0 112.383 170.176 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 94.7 mt -55.64 -52.76 44.3 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 CA-C-N 119.039 1.42 . . . . 0.0 110.513 -178.214 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -67.27 -29.39 68.98 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.976 -0.556 . . . . 0.0 112.497 -173.05 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -79.87 -39.43 30.58 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 113.369 0.877 . . . . 0.0 113.369 178.267 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -56.36 -34.32 66.52 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.865 0.866 . . . . 0.0 111.713 176.219 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.75 -26.18 67.91 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.819 0.847 . . . . 0.0 112.575 177.984 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -79.49 -35.12 40.65 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.607 1.163 . . . . 0.0 113.137 173.884 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -69.23 -22.21 63.88 Favored 'General case' 0 CA--C 1.54 0.575 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -166.6 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 13.3 tp -58.17 -26.07 62.28 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 123.862 0.865 . . . . 0.0 111.549 170.839 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -25.22 68.09 Favored 'General case' 0 N--CA 1.477 0.921 0 N-CA-C 113.784 1.031 . . . . 0.0 113.784 177.899 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -110.58 -22.27 11.72 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.844 0.858 . . . . 0.0 112.566 -175.668 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.4 p -100.51 -39.51 7.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.381 1.072 . . . . 0.0 113.003 -179.807 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 66.6 m-70 47.99 21.16 0.29 Allowed 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 127.067 2.147 . . . . 0.0 115.392 -170.992 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -86.04 151.55 54.69 Favored Pre-proline 0 CA--C 1.547 0.835 0 O-C-N 120.945 -1.097 . . . . 0.0 113.162 -176.245 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_endo -70.35 -7.59 21.59 Favored 'Trans proline' 0 CA--C 1.54 0.809 0 C-N-CA 123.638 2.892 . . . . 0.0 113.705 175.804 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 p -71.46 -32.51 46.55 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 O-C-N 121.042 -1.036 . . . . 0.0 112.51 -176.498 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.9 mp -66.51 -30.61 70.97 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.253 -0.905 . . . . 0.0 111.831 176.574 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.02 7.14 1.28 Allowed 'General case' 0 CA--C 1.554 1.101 0 C-N-CA 125.593 1.557 . . . . 0.0 114.08 167.169 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HE2' ' HA ' ' A' ' 31' ' ' LYS . 8.8 mmpt? -120.06 -44.87 2.49 Favored 'General case' 0 N--CA 1.468 0.441 0 C-N-CA 127.032 2.133 . . . . 0.0 111.239 165.866 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.01 -66.76 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.604 0 C-N-CA 123.561 0.744 . . . . 0.0 111.547 -174.403 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.16 -20.39 60.23 Favored 'General case' 0 CA--C 1.537 0.46 0 O-C-N 121.689 -0.632 . . . . 0.0 110.777 -179.592 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -60.1 -37.73 80.85 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.503 0.721 . . . . 0.0 110.829 170.828 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -73.83 -46.53 44.6 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 168.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.1 mm-40 -55.64 -25.24 38.17 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 119.5 1.046 . . . . 0.0 112.986 177.079 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -65.14 -30.78 71.74 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.193 0.997 . . . . 0.0 111.466 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -85.14 -44.7 12.73 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 124.226 1.01 . . . . 0.0 112.518 169.607 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -48.12 -44.06 31.61 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 125.65 1.58 . . . . 0.0 115.172 -165.477 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 48.9 mt -63.23 -50.08 80.49 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 122.74 0.416 . . . . 0.0 111.337 179.583 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -66.2 -37.43 85.57 Favored 'General case' 0 CA--C 1.532 0.275 0 CA-C-O 119.475 -0.298 . . . . 0.0 111.54 175.339 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.5 m0 -54.66 -33.35 60.61 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 115.12 1.526 . . . . 0.0 115.12 175.557 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -91.4 -12.98 33.21 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 121.038 1.745 . . . . 0.0 115.032 171.572 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -81.06 -36.4 30.53 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.277 1.431 . . . . 0.0 112.02 169.716 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 54.9 m -52.51 -39.31 61.17 Favored 'General case' 0 N--CA 1.466 0.344 0 C-N-CA 126.134 1.774 . . . . 0.0 112.133 172.018 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 44.6 mt -56.16 -42.13 71.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.659 1.184 . . . . 0.0 111.781 174.912 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 47.6 mt -77.26 -18.15 57.83 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.41 1.484 . . . . 0.0 113.425 -177.386 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 144.5 -13.47 2.02 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 125.717 1.627 . . . . 0.0 114.229 177.28 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.268 0 O-C-N 120.566 -1.55 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.227 -0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -55.84 -27.62 52.45 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.97 1.308 . . . . 0.0 114.104 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -52.72 -38.18 60.33 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.678 1.191 . . . . 0.0 113.4 175.414 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -64.4 -42.52 96.07 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.347 1.059 . . . . 0.0 112.077 177.915 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 40.1 ttp180 -64.96 -41.53 95.39 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.587 0.755 . . . . 0.0 111.08 175.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -64.64 -40.92 96.3 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.573 0.749 . . . . 0.0 112.523 175.886 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.7 mp -56.87 -60.87 2.94 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 126.502 1.921 . . . . 0.0 112.285 173.939 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 20.9 tp -58.63 -55.75 31.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.785 1.634 . . . . 0.0 111.63 179.971 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -82.04 52.48 1.98 Allowed 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.574 1.15 . . . . 0.0 112.336 -175.08 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -172.88 -34.84 0.03 OUTLIER Glycine 0 CA--C 1.523 0.586 0 N-CA-C 117.295 1.678 . . . . 0.0 117.295 178.076 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -54.99 -29.85 58.06 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 118.199 0.999 . . . . 0.0 112.949 173.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -87.54 -15.44 37.47 Favored 'General case' 0 C--N 1.339 0.131 0 C-N-CA 126.266 1.827 . . . . 0.0 115.289 177.766 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 23.9 tt0 -63.67 -29.53 70.75 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 122.255 -0.278 . . . . 0.0 110.457 161.049 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -74.16 -42.17 36.8 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 121.385 -0.822 . . . . 0.0 112.624 176.505 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 22.3 mm -50.46 -46.28 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.044 0 C-N-CA 125.169 1.387 . . . . 0.0 110.733 178.801 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 2.8 ttpm? -70.11 -35.24 73.98 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 112.609 0.596 . . . . 0.0 112.609 -170.767 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -80.51 -37.92 30.73 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 124.179 0.992 . . . . 0.0 112.265 177.478 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -59.2 -41.42 88.53 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-N 118.911 0.778 . . . . 0.0 112.069 173.073 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 32.8 ttt180 -65.8 -28.98 69.4 Favored 'General case' 0 N--CA 1.471 0.609 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 179.823 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -80.07 -36.19 35.9 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 125.519 1.527 . . . . 0.0 112.761 173.972 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -66.23 -27.03 67.66 Favored 'General case' 0 C--O 1.234 0.248 0 C-N-CA 127.13 2.172 . . . . 0.0 113.692 -171.808 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 6.0 tt -58.41 -27.12 63.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 118.642 0.655 . . . . 0.0 111.807 172.394 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -65.22 -29.17 69.95 Favored 'General case' 0 N--CA 1.472 0.672 0 CA-C-N 119.695 1.134 . . . . 0.0 113.522 175.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 65.4 m-85 -100.96 -1.47 34.34 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.077 1.751 . . . . 0.0 114.346 178.88 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 62.3 p -132.61 -23.27 2.08 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 115.133 1.531 . . . . 0.0 115.133 -175.963 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 56.2 m-70 33.29 51.82 0.33 Allowed 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.917 2.487 . . . . 0.0 115.098 -177.294 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.87 144.39 40.86 Favored Pre-proline 0 CA--C 1.549 0.934 0 C-N-CA 124.392 1.077 . . . . 0.0 112.901 -170.334 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -71.84 -12.78 28.95 Favored 'Trans proline' 0 C--N 1.353 0.794 0 C-N-CA 123.743 2.962 . . . . 0.0 113.407 179.545 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.0 t -66.19 -33.14 61.56 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.647 0 C-N-CA 124.421 1.088 . . . . 0.0 112.381 -178.577 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 5.0 mp -62.47 -32.03 72.85 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 120.979 -1.076 . . . . 0.0 111.772 173.223 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.11 8.74 1.17 Allowed 'General case' 0 CA--C 1.552 1.045 0 N-CA-C 114.415 1.265 . . . . 0.0 114.415 171.243 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -119.68 -40.72 2.74 Favored 'General case' 0 N--CA 1.467 0.406 0 C-N-CA 126.186 1.795 . . . . 0.0 112.149 159.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -63.2 -70.0 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 CA-C-N 118.761 0.71 . . . . 0.0 111.022 179.82 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.98 -25.93 66.56 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.521 0.6 . . . . 0.0 111.722 -179.418 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 37.8 tp10 -59.27 -38.09 79.26 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.125 0.57 . . . . 0.0 112.513 171.964 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.0 m-20 -80.05 -42.14 24.3 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 119.284 0.947 . . . . 0.0 113.373 175.796 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -55.91 -23.8 33.79 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.131 0.572 . . . . 0.0 112.254 176.532 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -66.8 -33.41 75.56 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.624 0.77 . . . . 0.0 111.855 176.748 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -78.84 -45.42 20.84 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.932 0.893 . . . . 0.0 112.286 170.568 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -46.6 -45.07 18.68 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.847 1.659 . . . . 0.0 114.574 -167.926 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 17.2 mt -59.75 -43.43 91.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 123.957 0.903 . . . . 0.0 112.895 179.519 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -78.97 -36.86 40.82 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 121.696 -0.627 . . . . 0.0 111.459 174.029 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.4 m0 -54.42 -37.1 64.72 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 114.165 1.172 . . . . 0.0 114.165 174.047 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -81.75 -16.38 51.27 Favored 'General case' 0 CA--C 1.546 0.81 0 CA-C-N 120.193 1.361 . . . . 0.0 114.061 174.465 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.87 -35.83 9.28 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.59 1.156 . . . . 0.0 113.291 -173.273 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 44.6 m -56.25 -31.19 63.34 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 124.335 1.054 . . . . 0.0 112.487 179.026 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 13.3 mm -64.7 -29.87 48.63 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 125.361 1.464 . . . . 0.0 112.704 178.496 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 49.2 mt -75.29 -14.45 60.5 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.47 1.108 . . . . 0.0 113.696 -170.774 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 154.02 -20.71 0.67 Allowed Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.905 1.241 . . . . 0.0 114.58 175.225 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.346 0 O-C-N 120.723 -1.457 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.031 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -140.33 -23.38 0.82 Allowed 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -53.14 -35.45 59.73 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 125.342 1.457 . . . . 0.0 114.755 -177.376 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.0 mt -66.37 -39.98 89.44 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.526 1.131 . . . . 0.0 112.698 -179.72 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.19 -45.61 92.55 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.893 0.877 . . . . 0.0 110.528 172.268 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 25.6 tt0 -65.41 -37.15 86.1 Favored 'General case' 0 CA--C 1.545 0.751 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 178.938 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.38 -59.83 4.73 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 126.328 1.851 . . . . 0.0 112.387 171.846 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -66.54 -45.39 79.57 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 125.948 1.699 . . . . 0.0 112.544 -172.688 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.03 -19.34 65.82 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -178.251 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.07 -36.16 3.24 Favored Glycine 0 C--N 1.337 0.62 0 N-CA-C 116.205 1.242 . . . . 0.0 116.205 -174.643 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.26 -38.31 70.96 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.303 1.051 . . . . 0.0 111.559 170.417 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -66.59 -33.16 75.05 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 179.7 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 18.9 tt0 -74.06 -8.23 55.38 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 125.774 1.629 . . . . 0.0 112.541 176.767 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -89.87 -38.99 6.29 Favored Glycine 0 CA--C 1.529 0.941 0 CA-C-O 119.061 -0.855 . . . . 0.0 111.84 169.492 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 89.0 mt -59.13 -48.48 86.67 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 CA-C-N 118.765 1.283 . . . . 0.0 111.282 -175.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -65.3 -36.91 85.52 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.382 0.512 . . . . 0.0 112.382 -174.295 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -74.82 -34.11 62.3 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.524 1.129 . . . . 0.0 113.318 -177.823 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 12.0 m-85 -64.35 -31.25 72.39 Favored 'General case' 0 C--O 1.234 0.279 0 N-CA-C 113.574 0.953 . . . . 0.0 113.574 172.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.5 mtp180 -66.1 -25.84 67.19 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 118.413 0.551 . . . . 0.0 112.483 179.747 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -72.0 -31.5 66.3 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 125.089 1.355 . . . . 0.0 113.478 176.458 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.44 -20.78 31.22 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 -159.904 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 30.1 tp -59.74 -29.79 68.39 Favored 'General case' 0 N--CA 1.472 0.638 0 O-C-N 121.359 -0.838 . . . . 0.0 111.752 170.844 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -68.1 -23.06 64.88 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -177.866 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.5 m-85 -96.19 -4.32 42.74 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.022 1.729 . . . . 0.0 112.873 179.495 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 80.8 p -138.65 -39.3 0.51 Allowed 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 114.152 1.167 . . . . 0.0 114.152 -165.69 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . 0.269 58.1 m-70 45.55 29.18 0.59 Allowed 'General case' 0 CA--C 1.551 1.007 0 C-N-CA 127.349 2.26 . . . . 0.0 114.328 -170.935 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -80.13 149.33 69.47 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 125.407 1.483 . . . . 0.0 112.53 175.743 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.77 -6.61 18.39 Favored 'Trans proline' 0 CA--C 1.542 0.885 0 C-N-CA 123.468 2.779 . . . . 0.0 113.643 179.073 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 39.4 t -80.57 -28.06 11.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 O-C-N 120.819 -1.176 . . . . 0.0 112.379 -171.254 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 mp -65.37 -30.39 71.21 Favored 'General case' 0 CA--C 1.542 0.672 0 O-C-N 120.531 -1.355 . . . . 0.0 111.749 172.394 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -71.1 5.62 2.01 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.654 1.582 . . . . 0.0 114.513 168.877 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 4.7 mmpt? -118.19 -40.52 2.95 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 127.221 2.208 . . . . 0.0 111.632 167.886 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 29.5 mt -65.67 -65.66 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 CA-C-N 118.064 0.393 . . . . 0.0 111.868 -176.578 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 pp -72.15 -19.87 61.7 Favored 'General case' 0 N--CA 1.467 0.389 0 O-C-N 121.684 -0.635 . . . . 0.0 112.141 179.362 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 26.5 tp10 -58.86 -41.93 88.21 Favored 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 122.598 0.359 . . . . 0.0 110.773 169.858 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -68.44 -48.72 63.83 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 169.412 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -55.97 -21.78 22.95 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 178.298 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -69.43 -34.68 74.8 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.892 0.769 . . . . 0.0 111.598 177.821 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.24 -43.18 24.29 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.498 1.119 . . . . 0.0 111.805 172.26 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -48.47 -44.44 35.62 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 125.52 1.528 . . . . 0.0 114.902 -168.207 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 69.3 mt -67.41 -34.84 71.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -179.262 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -80.18 -30.78 38.82 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 119.127 0.876 . . . . 0.0 111.858 170.885 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 9.6 m0 -58.54 -35.67 72.68 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 115.835 1.791 . . . . 0.0 115.835 176.576 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -84.32 -34.46 23.7 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 121.579 1.991 . . . . 0.0 113.666 166.861 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -64.0 -35.47 80.81 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 120.052 1.297 . . . . 0.0 112.073 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 48.7 m -50.9 -38.89 52.51 Favored 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.896 1.678 . . . . 0.0 112.446 170.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 9.6 mm -72.67 -41.17 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 C-N-CA 124.028 0.931 . . . . 0.0 112.772 -179.386 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.31 -26.01 63.58 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 114.913 1.449 . . . . 0.0 114.913 -166.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 61.1 -154.64 36.54 Favored Glycine 0 CA--C 1.539 1.592 0 CA-C-O 122.023 0.791 . . . . 0.0 114.26 179.372 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.43 0 O-C-N 120.587 -1.537 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.225 -0.186 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -54.1 -29.11 43.45 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 125.056 1.342 . . . . 0.0 114.225 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 2' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -52.62 -40.22 62.5 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.189 1.396 . . . . 0.0 112.783 174.591 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 45.8 mt -63.47 -44.97 92.89 Favored 'General case' 0 CA--C 1.532 0.28 0 C-N-CA 124.391 1.076 . . . . 0.0 110.643 -175.216 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 4' ' ' ARG . . . . . . . . . . . . . 62.1 ttm-85 -59.75 -41.66 91.49 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.259 0.623 . . . . 0.0 111.82 173.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -66.4 -34.15 77.3 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.387 0.675 . . . . 0.0 112.788 176.388 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 4.0 mp -69.99 -57.21 5.27 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.532 1.933 . . . . 0.0 112.599 176.512 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.66 -42.76 75.55 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.655 1.182 . . . . 0.0 113.143 176.607 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 8' ' ' LYS . . . . . . . . . . . . . 37.3 ttmt -72.23 76.36 0.98 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.657 1.583 . . . . 0.0 111.874 177.761 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.42 -26.01 1.22 Allowed Glycine 0 C--N 1.332 0.361 0 N-CA-C 117.215 1.646 . . . . 0.0 117.215 172.343 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.55 -41.99 86.86 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 117.757 0.779 . . . . 0.0 109.938 168.759 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.21 -39.81 95.69 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.714 2.006 . . . . 0.0 112.45 173.476 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 12' ' ' GLN . . . . . . . . . . . . . 19.2 tt0 -64.89 -23.35 67.2 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.13 1.372 . . . . 0.0 111.898 175.615 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.67 -45.5 7.26 Favored Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.876 1.227 . . . . 0.0 112.09 170.587 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 90.4 mt -53.14 -51.84 35.63 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 CA-C-N 118.581 1.191 . . . . 0.0 110.275 179.66 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 15' ' ' LYS . . . . . . . . . . . . . 61.0 tttp -70.6 -33.04 70.62 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.226 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -76.45 -32.72 58.58 Favored 'General case' 0 C--O 1.233 0.22 0 C-N-CA 123.815 0.846 . . . . 0.0 112.571 178.897 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.474 ' CZ ' HG21 ' B' ' 32' ' ' ILE . 5.0 m-85 -61.25 -28.25 69.04 Favored 'General case' 0 C--O 1.234 0.258 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 175.327 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 18' ' ' ARG . . . . . . . . . . . . . 6.1 mtm180 -68.2 -29.54 68.41 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.383 0.882 . . . . 0.0 113.383 176.312 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 19' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -76.97 -34.23 57.59 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.949 0.9 . . . . 0.0 112.08 170.514 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 20' ' ' ALA . . . . . . . . . . . . . . . -65.16 -31.94 73.38 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.371 1.068 . . . . 0.0 112.701 177.82 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 21' ' ' LEU . . . . . . . . . . . . . 41.0 tp -63.5 -32.7 74.22 Favored 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 170.529 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -63.77 -30.06 71.2 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 120.081 1.309 . . . . 0.0 112.585 178.935 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 23' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -74.6 -15.48 60.83 Favored 'General case' 0 CA--C 1.545 0.777 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 174.141 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 24' ' ' THR . . . . . . . . . . . . . 21.2 p -135.65 -32.31 0.91 Allowed 'General case' 0 N--CA 1.486 1.364 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -164.958 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . 0.261 37.0 m-70 48.09 17.18 0.1 Allowed 'General case' 0 CA--C 1.558 1.266 0 C-N-CA 128.425 2.69 . . . . 0.0 115.668 -166.212 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 26' ' ' ASN . . . . . . . . . . . . . 4.7 m120 -69.24 146.23 96.62 Favored Pre-proline 0 CA--C 1.549 0.937 0 C-N-CA 125.278 1.431 . . . . 0.0 113.185 -178.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 27' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -68.28 -21.21 41.85 Favored 'Trans proline' 0 C--N 1.352 0.74 0 C-N-CA 123.079 2.519 . . . . 0.0 112.94 175.702 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 2.1 t -67.97 -42.21 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.501 0 C-N-CA 123.678 0.791 . . . . 0.0 112.127 -179.753 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -50.12 -38.39 38.79 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 119.478 1.035 . . . . 0.0 112.42 170.648 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -52.3 37.36 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-O 118.524 -0.751 . . . . 0.0 112.539 175.283 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 52.0 mttm -53.86 -39.33 65.56 Favored 'General case' 0 N--CA 1.486 1.363 0 CA-C-N 120.223 1.374 . . . . 0.0 113.756 176.817 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.474 HG21 ' CZ ' ' B' ' 17' ' ' TYR . 58.3 mt -62.46 -60.36 2.87 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.297 0 C-N-CA 123.575 0.75 . . . . 0.0 110.054 -179.276 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.7 pp -66.94 -27.09 67.19 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.359 0.874 . . . . 0.0 113.359 178.607 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -64.83 -36.09 83.2 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.019 0.528 . . . . 0.0 111.53 176.059 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.49 ' HA ' ' HE2' ' B' ' 38' ' ' LYS . 79.3 m-20 -73.95 -44.19 55.72 Favored 'General case' 0 N--CA 1.462 0.159 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 173.181 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 59.4 mm-40 -55.27 -26.29 39.13 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 118.836 0.744 . . . . 0.0 113.007 175.478 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 37' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -67.39 -31.27 71.39 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.726 0.81 . . . . 0.0 111.418 177.984 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 35' ' ' ASP . 49.6 mtmt -82.19 -44.09 16.85 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 125.566 1.546 . . . . 0.0 111.613 172.825 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' B' B ' 39' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -48.57 -44.39 36.71 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 126.321 1.849 . . . . 0.0 114.618 -172.169 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 40' ' ' ILE . . . . . . . . . . . . . 59.2 mt -63.55 -45.74 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 123.371 0.668 . . . . 0.0 112.183 -178.774 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -74.83 -34.58 62.35 Favored 'General case' 0 N--CA 1.465 0.298 0 O-C-N 121.764 -0.585 . . . . 0.0 111.479 174.428 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 42' ' ' TRP . . . . . . . . . . . . . 14.3 m0 -54.69 -35.77 63.95 Favored 'General case' 0 CA--C 1.538 0.485 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 175.089 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 2.0 pp -86.56 -6.06 58.98 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.785 1.402 . . . . 0.0 114.785 173.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -114.88 -31.65 6.04 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.787 1.235 . . . . 0.0 112.562 -169.831 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 45' ' ' THR . . . . . . . . . . . . . 37.5 m -56.09 -31.96 63.71 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 124.94 1.296 . . . . 0.0 112.525 173.193 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 46' ' ' ILE . . . . . . . . . . . . . 40.8 mm -56.25 -33.28 37.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 125.912 1.685 . . . . 0.0 112.909 175.895 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 47' ' ' LEU . . . . . . . . . . . . . 44.1 mt -79.6 -22.78 43.25 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.425 1.09 . . . . 0.0 113.829 -166.838 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 48' ' ' GLY . . . . . . . . . . . . . . . 170.88 19.74 0.02 OUTLIER Glycine 0 CA--C 1.537 1.409 0 N-CA-C 115.605 1.002 . . . . 0.0 115.605 -176.005 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' B' B ' 49' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.353 0 O-C-N 120.27 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' B' B ' 50' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_