data_2mjb_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 2mjb _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -131.49 105.45 7.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.52 109.98 22.65 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.864 0.466 . . . . 42.75 110.525 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.57 149.43 2.98 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.828 0.705 . . . . 36.31 112.519 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.482 0 CA-C-O 118.461 -1.188 . . . . 36.2 112.503 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp -158.32 123.01 4.22 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -139.24 143.03 37.81 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.969 0.507 . . . . 42.75 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.21 -112.04 0.28 Allowed Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.649 -0.528 . . . . 36.31 112.911 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.531 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.843 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -150.18 114.59 5.19 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -140.35 144.46 36.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.794 0.438 . . . . 42.75 110.613 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.49 -66.46 0.27 Allowed Glycine 0 C--N 1.352 1.461 0 O-C-N 123.626 0.579 . . . . 36.31 112.949 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.48 0 CA-C-O 118.413 -1.215 . . . . 36.2 112.413 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt -142.96 135.4 27.47 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -139.84 -54.44 0.54 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.782 0.433 . . . . 42.75 110.621 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.87 123.47 6.2 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.747 0.654 . . . . 36.31 112.445 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.472 0 CA-C-O 118.507 -1.163 . . . . 36.2 112.572 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -145.36 103.77 3.86 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -97.23 128.61 44.26 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 122.838 0.455 . . . . 42.75 110.681 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.09 -75.83 1.7 Allowed Glycine 0 C--N 1.352 1.466 0 O-C-N 123.628 0.58 . . . . 36.31 112.474 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.485 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.509 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -144.61 150.05 36.79 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 114.83 7.37 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 123.448 0.468 . . . . 42.75 110.888 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.08 -129.08 1.01 Allowed Glycine 0 C--N 1.354 1.547 0 O-C-N 123.613 0.57 . . . . 36.31 112.769 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.377 -1.235 . . . . 36.2 112.855 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp -155.21 142.98 19.87 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -135.05 116.59 14.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.445 0.466 . . . . 42.75 110.6 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.79 -132.75 0.64 Allowed Glycine 0 C--N 1.352 1.467 0 O-C-N 123.559 0.537 . . . . 36.31 112.689 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 CA-C-O 118.357 -1.246 . . . . 36.2 112.87 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt -120.01 137.97 53.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.62 147.5 26.36 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.43 0.456 . . . . 42.75 110.664 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.58 -149.8 3.87 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 123.611 0.569 . . . . 36.31 112.504 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.412 0 CA-C-O 118.375 -1.236 . . . . 36.2 112.566 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -155.41 136.79 14.04 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -133.59 153.23 51.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.849 0.46 . . . . 42.75 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.94 -164.56 35.97 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 123.665 0.603 . . . . 36.31 113.101 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.454 0 CA-C-O 118.457 -1.191 . . . . 36.2 112.619 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.85 140.09 52.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -91.05 168.83 11.36 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.417 0.448 . . . . 42.75 111.113 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.81 5.6 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-O 119.577 -0.569 . . . . 36.31 112.993 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.371 0 CA-C-O 118.362 -1.243 . . . . 36.2 112.59 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.8 107.63 3.0 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -154.45 115.56 4.05 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 123.527 0.517 . . . . 42.75 111.36 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.45 133.28 2.85 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 123.726 0.641 . . . . 36.31 113.055 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.506 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -157.79 120.15 3.79 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -149.35 -56.89 0.2 Allowed 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.468 0.48 . . . . 42.75 111.077 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.6 -172.1 38.02 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.766 0.666 . . . . 36.31 113.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.381 -1.233 . . . . 36.2 112.698 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -156.25 120.47 4.49 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -152.19 171.74 17.47 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.398 0.436 . . . . 42.75 111.59 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.36 137.47 1.47 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.618 0.574 . . . . 36.31 112.525 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.363 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.468 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.38 118.5 5.13 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -154.43 172.2 18.13 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.489 0.493 . . . . 42.75 111.588 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.12 -166.97 52.09 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.476 0.485 . . . . 36.31 112.861 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 CA-C-O 118.374 -1.236 . . . . 36.2 112.951 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -150.98 117.38 5.68 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -150.25 164.43 35.74 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.496 0.498 . . . . 42.75 111.415 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.9 -154.81 41.91 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.579 0.549 . . . . 36.31 112.424 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.462 0 CA-C-O 118.401 -1.222 . . . . 36.2 112.864 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -153.48 105.53 2.85 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -153.53 157.15 39.34 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.409 0.443 . . . . 42.75 111.371 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.92 -101.54 0.19 Allowed Glycine 0 C--N 1.353 1.495 0 CA-C-O 119.646 -0.53 . . . . 36.31 112.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.445 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.467 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.24 149.78 20.95 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.58 134.35 34.17 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 123.381 0.426 . . . . 42.75 110.73 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -118.92 5.39 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.75 0.656 . . . . 36.31 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.442 0 CA-C-O 118.458 -1.19 . . . . 36.2 112.465 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.25 114.36 2.2 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -153.32 167.14 30.37 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.435 0.459 . . . . 42.75 111.614 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.19 161.96 18.84 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.526 0.517 . . . . 36.31 112.708 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.934 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -152.98 119.75 5.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -154.18 169.07 24.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.494 0.496 . . . . 42.75 111.54 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.8 -152.31 36.83 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.636 0.585 . . . . 36.31 112.562 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.477 0 CA-C-O 118.437 -1.201 . . . . 36.2 112.847 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -147.88 171.44 15.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -150.22 150.6 31.79 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.445 -0.343 . . . . 42.75 111.313 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.25 -106.63 2.25 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.658 0.599 . . . . 36.31 112.503 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.504 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.909 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 26' ' ' VAL . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG21 HD21 ' A' ' 56' ' ' LEU . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD21 HG21 ' A' ' 26' ' ' VAL . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HD21 ' A' ' 56' ' ' LEU . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 26' ' ' VAL . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 HD21 ' A' ' 56' ' ' LEU . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 59' ' ' TYR . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 26' ' ' VAL . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD22 ' A' ' 50' ' ' LEU . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 26' ' ' VAL . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 36' ' ' ILE . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 56' ' ' LEU . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 26' ' ' VAL . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 26' ' ' VAL . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD21 HG21 ' A' ' 26' ' ' VAL . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 26' ' ' VAL . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -131.49 105.45 7.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.52 109.98 22.65 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.864 0.466 . . . . 42.75 110.525 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.57 149.43 2.98 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.828 0.705 . . . . 36.31 112.519 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.482 0 CA-C-O 118.461 -1.188 . . . . 36.2 112.503 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp -158.32 123.01 4.22 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -139.24 143.03 37.81 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.969 0.507 . . . . 42.75 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.21 -112.04 0.28 Allowed Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.649 -0.528 . . . . 36.31 112.911 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.531 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.843 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -150.18 114.59 5.19 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -140.35 144.46 36.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.794 0.438 . . . . 42.75 110.613 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.49 -66.46 0.27 Allowed Glycine 0 C--N 1.352 1.461 0 O-C-N 123.626 0.579 . . . . 36.31 112.949 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.48 0 CA-C-O 118.413 -1.215 . . . . 36.2 112.413 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt -142.96 135.4 27.47 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -139.84 -54.44 0.54 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.782 0.433 . . . . 42.75 110.621 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.87 123.47 6.2 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.747 0.654 . . . . 36.31 112.445 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.472 0 CA-C-O 118.507 -1.163 . . . . 36.2 112.572 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -145.36 103.77 3.86 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -97.23 128.61 44.26 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 122.838 0.455 . . . . 42.75 110.681 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.09 -75.83 1.7 Allowed Glycine 0 C--N 1.352 1.466 0 O-C-N 123.628 0.58 . . . . 36.31 112.474 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.485 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.509 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG21 HD21 ' A' ' 56' ' ' LEU . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD21 HG21 ' A' ' 26' ' ' VAL . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -144.61 150.05 36.79 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 114.83 7.37 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 123.448 0.468 . . . . 42.75 110.888 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.08 -129.08 1.01 Allowed Glycine 0 C--N 1.354 1.547 0 O-C-N 123.613 0.57 . . . . 36.31 112.769 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.377 -1.235 . . . . 36.2 112.855 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp -155.21 142.98 19.87 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -135.05 116.59 14.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.445 0.466 . . . . 42.75 110.6 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.79 -132.75 0.64 Allowed Glycine 0 C--N 1.352 1.467 0 O-C-N 123.559 0.537 . . . . 36.31 112.689 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 CA-C-O 118.357 -1.246 . . . . 36.2 112.87 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HD21 ' A' ' 56' ' ' LEU . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 26' ' ' VAL . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt -120.01 137.97 53.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.62 147.5 26.36 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.43 0.456 . . . . 42.75 110.664 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.58 -149.8 3.87 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 123.611 0.569 . . . . 36.31 112.504 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.412 0 CA-C-O 118.375 -1.236 . . . . 36.2 112.566 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 HD21 ' A' ' 56' ' ' LEU . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 59' ' ' TYR . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 26' ' ' VAL . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD22 ' A' ' 50' ' ' LEU . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -155.41 136.79 14.04 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -133.59 153.23 51.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.849 0.46 . . . . 42.75 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.94 -164.56 35.97 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 123.665 0.603 . . . . 36.31 113.101 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.454 0 CA-C-O 118.457 -1.191 . . . . 36.2 112.619 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 26' ' ' VAL . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.85 140.09 52.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -91.05 168.83 11.36 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.417 0.448 . . . . 42.75 111.113 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.81 5.6 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-O 119.577 -0.569 . . . . 36.31 112.993 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.371 0 CA-C-O 118.362 -1.243 . . . . 36.2 112.59 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.8 107.63 3.0 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -154.45 115.56 4.05 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 123.527 0.517 . . . . 42.75 111.36 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.45 133.28 2.85 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 123.726 0.641 . . . . 36.31 113.055 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.506 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -157.79 120.15 3.79 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -149.35 -56.89 0.2 Allowed 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.468 0.48 . . . . 42.75 111.077 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.6 -172.1 38.02 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.766 0.666 . . . . 36.31 113.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.381 -1.233 . . . . 36.2 112.698 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 36' ' ' ILE . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -156.25 120.47 4.49 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -152.19 171.74 17.47 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.398 0.436 . . . . 42.75 111.59 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.36 137.47 1.47 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.618 0.574 . . . . 36.31 112.525 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.363 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.468 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 56' ' ' LEU . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 26' ' ' VAL . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.38 118.5 5.13 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -154.43 172.2 18.13 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.489 0.493 . . . . 42.75 111.588 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.12 -166.97 52.09 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.476 0.485 . . . . 36.31 112.861 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 CA-C-O 118.374 -1.236 . . . . 36.2 112.951 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -150.98 117.38 5.68 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -150.25 164.43 35.74 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.496 0.498 . . . . 42.75 111.415 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.9 -154.81 41.91 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.579 0.549 . . . . 36.31 112.424 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.462 0 CA-C-O 118.401 -1.222 . . . . 36.2 112.864 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 26' ' ' VAL . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -153.48 105.53 2.85 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -153.53 157.15 39.34 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.409 0.443 . . . . 42.75 111.371 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.92 -101.54 0.19 Allowed Glycine 0 C--N 1.353 1.495 0 CA-C-O 119.646 -0.53 . . . . 36.31 112.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.445 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.467 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.24 149.78 20.95 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.58 134.35 34.17 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 123.381 0.426 . . . . 42.75 110.73 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -118.92 5.39 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.75 0.656 . . . . 36.31 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.442 0 CA-C-O 118.458 -1.19 . . . . 36.2 112.465 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.25 114.36 2.2 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -153.32 167.14 30.37 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.435 0.459 . . . . 42.75 111.614 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.19 161.96 18.84 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.526 0.517 . . . . 36.31 112.708 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.934 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD21 HG21 ' A' ' 26' ' ' VAL . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -152.98 119.75 5.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -154.18 169.07 24.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.494 0.496 . . . . 42.75 111.54 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.8 -152.31 36.83 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.636 0.585 . . . . 36.31 112.562 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.477 0 CA-C-O 118.437 -1.201 . . . . 36.2 112.847 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -147.88 171.44 15.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -150.22 150.6 31.79 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.445 -0.343 . . . . 42.75 111.313 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.25 -106.63 2.25 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.658 0.599 . . . . 36.31 112.503 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.504 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.909 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 26' ' ' VAL . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt . . . . . 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp . . . . . 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt . . . . . 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt . . . . . 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.423 HG21 HD21 ' A' ' 56' ' ' LEU . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD21 HG21 ' A' ' 26' ' ' VAL . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp . . . . . 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HD21 ' A' ' 56' ' ' LEU . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 26' ' ' VAL . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt . . . . . 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 HD21 ' A' ' 56' ' ' LEU . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 59' ' ' TYR . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 26' ' ' VAL . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD22 ' A' ' 50' ' ' LEU . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp . . . . . 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 26' ' ' VAL . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt . . . . . 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.402 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 36' ' ' ILE . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 56' ' ' LEU . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 26' ' ' VAL . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt . . . . . 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 26' ' ' VAL . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt . . . . . 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt . . . . . 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD21 HG21 ' A' ' 26' ' ' VAL . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt . . . . . 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt . . . . . 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 111.441 0.163 . . . . 17.17 111.441 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -95.55 142.16 28.21 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 123.451 0.47 . . . . 21.89 110.409 179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.38 163.12 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.903 0 CA-C-N 115.375 -0.829 . . . . 10.83 109.274 178.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -123.56 138.74 54.5 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 118.059 0.391 . . . . 10.61 111.376 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.3 t -119.99 124.91 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 N-CA-C 108.681 -0.859 . . . . 9.13 108.681 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.3 mttt -103.41 136.61 42.83 Favored 'General case' 0 C--N 1.357 0.928 0 C-N-CA 122.601 0.361 . . . . 20.55 110.652 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -102.1 160.47 14.48 Favored 'General case' 0 C--N 1.36 1.055 0 O-C-N 123.557 0.536 . . . . 11.78 111.478 -179.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.4 mt -64.04 -11.18 26.92 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 115.131 1.53 . . . . 19.31 115.131 -178.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 55.8 p -98.93 -11.37 21.68 Favored 'General case' 0 C--N 1.363 1.187 0 N-CA-C 113.084 0.772 . . . . 23.14 113.084 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.96 16.58 7.83 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 115.769 1.068 . . . . 19.74 115.769 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -101.85 136.47 41.64 Favored 'General case' 0 C--N 1.367 1.337 0 N-CA-C 113.101 0.778 . . . . 21.93 113.101 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.5 m -115.03 123.62 49.51 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.008 -1.108 . . . . 12.33 108.008 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -108.53 138.92 33.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.832 0 N-CA-C 108.666 -0.864 . . . . 17.08 108.666 178.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.2 m -103.73 130.76 51.28 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 108.742 -0.836 . . . . 16.3 108.742 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.1 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.068 0 O-C-N 123.463 0.477 . . . . 15.88 111.259 -179.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.63 120.89 38.82 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.279 -1.749 . . . . 28.9 106.279 175.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.1 m -139.39 166.5 21.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.877 0 N-CA-C 112.201 0.445 . . . . 12.05 112.201 -176.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 20.8 mm-40 -116.12 147.9 40.34 Favored Pre-proline 0 C--O 1.242 0.704 0 N-CA-C 107.538 -1.282 . . . . 18.17 107.538 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_exo -57.67 -27.5 77.65 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 121.871 1.714 . . . . 8.16 114.929 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.1 p -82.36 -0.23 44.93 Favored 'General case' 0 CA--C 1.549 0.927 0 N-CA-C 113.063 0.764 . . . . 11.13 113.063 179.021 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -72.6 144.06 47.99 Favored 'General case' 0 C--N 1.363 1.194 0 CA-C-N 118.924 0.784 . . . . 18.03 109.298 178.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -86.73 157.7 19.57 Favored 'General case' 0 C--N 1.348 0.538 0 CA-C-N 115.68 -0.691 . . . . 10.22 110.572 178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.4 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.57 -42.38 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.506 0 CA-C-N 116.34 -0.391 . . . . 12.3 110.326 178.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -55.58 -37.36 67.96 Favored 'General case' 0 N--CA 1.5 2.059 0 C-N-CA 122.364 0.266 . . . . 36.51 110.33 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -68.87 -40.32 79.33 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 123.319 0.387 . . . . 25.66 110.522 178.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.419 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.2 -43.0 97.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.657 -0.498 . . . . 8.12 109.657 176.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -61.36 -39.71 91.61 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 119.524 -0.274 . . . . 15.47 110.435 177.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.04 92.14 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 123.019 0.2 . . . . 11.45 111.228 179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.5 mttm -65.11 -38.58 91.14 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 122.7 0.4 . . . . 24.98 110.774 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.94 -41.33 87.37 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 N-CA-C 109.692 -0.484 . . . . 9.46 109.692 176.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.9 -43.02 85.9 Favored 'General case' 0 N--CA 1.505 2.313 0 N-CA-C 109.61 -0.515 . . . . 14.76 109.61 177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.5 m-20 -63.4 -41.89 98.77 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-N 115.93 -0.577 . . . . 26.29 111.488 -179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.8 mttt -79.83 -42.51 24.17 Favored 'General case' 0 N--CA 1.48 1.039 0 N-CA-C 113.593 0.96 . . . . 30.06 113.593 -177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -116.2 -5.97 11.87 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 117.381 2.363 . . . . 25.19 117.381 -174.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.66 84.43 Favored Glycine 0 CA--C 1.538 1.5 0 N-CA-C 116.888 1.515 . . . . 7.41 116.888 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 122.15 73.08 Favored Pre-proline 0 N--CA 1.477 0.912 0 CA-C-O 118.34 -0.838 . . . . 9.49 108.831 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_exo -65.57 145.36 81.9 Favored 'Trans proline' 0 C--N 1.385 2.494 0 C-N-CA 121.984 1.789 . . . . 11.42 111.513 179.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -58.39 -32.35 96.01 Favored 'Trans proline' 0 C--N 1.385 2.499 0 C-N-CA 122.476 2.117 . . . . 12.0 113.852 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -69.43 -17.37 63.64 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 112.955 0.724 . . . . 35.55 112.955 -179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.3 mt-30 -101.18 -0.85 35.26 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.045 0.757 . . . . 20.52 113.045 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.43 134.34 46.97 Favored 'General case' 0 C--N 1.359 0.979 0 N-CA-C 113.589 0.959 . . . . 7.13 113.589 -177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -122.7 127.41 49.22 Favored 'General case' 0 C--N 1.355 0.84 0 N-CA-C 107.261 -1.385 . . . . 36.39 107.261 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 90.5 mt -109.67 131.37 55.13 Favored 'General case' 0 C--N 1.348 0.517 0 C-N-CA 122.965 0.506 . . . . 9.55 110.655 -178.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.07 136.51 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 O-C-N 123.922 0.763 . . . . 13.9 110.838 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -135.89 125.17 24.7 Favored 'General case' 0 C--N 1.349 0.571 0 N-CA-C 107.926 -1.138 . . . . 6.86 107.926 177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.7 46.54 21.43 Favored 'General case' 0 N--CA 1.488 1.445 0 CA-C-O 121.289 0.566 . . . . 11.15 112.424 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.8 2.66 61.61 Favored Glycine 0 CA--C 1.542 1.731 0 N-CA-C 116.282 1.273 . . . . 13.93 116.282 178.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.1 mtmm -111.54 136.11 51.17 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.412 1.106 . . . . 23.92 112.327 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -78.28 128.86 34.33 Favored 'General case' 0 N--CA 1.482 1.156 0 N-CA-C 107.986 -1.116 . . . . 23.23 107.986 177.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.4 mt -85.66 135.68 33.67 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.05 0.389 . . . . 9.11 112.05 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -89.36 142.75 27.38 Favored 'General case' 0 N--CA 1.481 1.083 0 O-C-N 123.406 0.441 . . . . 33.44 111.712 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.62 -29.55 70.12 Favored 'General case' 0 N--CA 1.486 1.355 0 N-CA-C 113.879 1.066 . . . . 28.37 113.879 -178.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.74 -0.82 89.18 Favored Glycine 0 CA--C 1.542 1.738 0 CA-C-O 118.932 -0.927 . . . . 15.0 115.012 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.01 165.06 11.24 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.141 0.971 . . . . 25.5 111.241 178.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.72 165.33 11.25 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-O 121.182 0.515 . . . . 11.95 110.718 179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD21 HG21 ' A' ' 26' ' ' VAL . 95.1 mt -59.43 -37.89 79.26 Favored 'General case' 0 N--CA 1.484 1.258 0 CA-C-N 114.979 -1.01 . . . . 10.17 112.369 178.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.2 t -66.71 -30.85 71.19 Favored 'General case' 0 C--N 1.364 1.226 0 CA-C-N 119.318 0.963 . . . . 13.59 111.648 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.43 -30.49 70.6 Favored 'General case' 0 N--CA 1.487 1.376 0 N-CA-C 111.913 0.338 . . . . 11.7 111.913 178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.3 m-85 -98.1 9.7 42.23 Favored 'General case' 0 CA--C 1.557 1.216 0 N-CA-C 112.439 0.533 . . . . 12.95 112.439 178.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.2 m-80 56.26 38.73 30.07 Favored 'General case' 0 C--N 1.365 1.24 0 C-N-CA 124.118 0.967 . . . . 25.45 112.647 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.67 124.34 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.907 0 N-CA-C 107.949 -1.13 . . . . 14.6 107.949 177.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.5 mm-40 -114.22 172.51 6.96 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.158 0.983 . . . . 33.23 111.841 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -52.6 140.58 22.75 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.993 0.738 . . . . 25.97 112.993 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 66.13 17.7 10.82 Favored 'General case' 0 CA--C 1.551 0.987 0 N-CA-C 114.738 1.385 . . . . 32.61 114.738 -179.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.5 m -76.53 153.16 35.7 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.403 -0.81 . . . . 10.56 109.082 176.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.46 123.18 49.71 Favored 'General case' 0 C--N 1.354 0.781 0 C-N-CA 123.401 0.681 . . . . 5.33 111.319 -179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.32 154.94 20.05 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 107.84 -1.17 . . . . 11.66 107.84 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.19 134.18 53.88 Favored 'General case' 0 C--N 1.35 0.606 0 CA-C-N 116.254 -0.43 . . . . 16.3 110.571 179.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.9 tp -108.02 129.04 55.15 Favored 'General case' 0 C--N 1.354 0.777 0 N-CA-C 109.636 -0.505 . . . . 9.96 109.636 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.87 138.72 49.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.045 0 N-CA-C 107.119 -1.437 . . . . 9.76 107.119 178.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -102.71 131.86 49.24 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 122.813 0.445 . . . . 19.57 111.284 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 49.3 ttt180 -94.47 155.87 16.73 Favored 'General case' 0 C--N 1.354 0.773 0 O-C-N 123.574 0.546 . . . . 35.08 110.732 179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 71.7 mt -131.49 105.45 7.58 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.878 0.471 . . . . 32.31 110.559 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.52 109.98 22.65 Favored 'General case' 0 C--N 1.353 0.755 0 C-N-CA 122.864 0.466 . . . . 42.75 110.525 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.57 149.43 2.98 Favored Glycine 0 C--N 1.351 1.386 0 O-C-N 123.828 0.705 . . . . 36.31 112.519 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.482 0 CA-C-O 118.461 -1.188 . . . . 36.2 112.503 -179.937 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 111.4 0.148 . . . . 17.17 111.4 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -95.55 142.72 27.56 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.905 0.482 . . . . 21.89 110.347 179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.7 pt -134.52 163.3 37.16 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.357 -0.838 . . . . 10.83 109.213 178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.9 m-85 -122.95 138.33 54.7 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.277 -0.392 . . . . 10.61 111.282 179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.5 t -119.27 124.68 73.48 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.319 0 N-CA-C 108.302 -0.999 . . . . 9.13 108.302 178.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -103.22 133.52 48.17 Favored 'General case' 0 C--N 1.354 0.787 0 N-CA-C 110.064 -0.347 . . . . 20.55 110.064 178.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 23.5 p -99.49 161.92 13.33 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 123.592 0.558 . . . . 11.78 110.682 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 66.4 mt -47.41 -53.06 14.95 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 123.795 0.684 . . . . 19.31 111.947 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.31 -7.92 5.07 Favored 'General case' 0 N--CA 1.486 1.349 0 N-CA-C 115.285 1.587 . . . . 23.14 115.285 -178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.86 4.84 54.22 Favored Glycine 0 C--N 1.365 2.14 0 N-CA-C 115.778 1.071 . . . . 19.74 115.778 178.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -79.35 143.64 34.94 Favored 'General case' 0 C--N 1.363 1.191 0 C-N-CA 120.438 -0.505 . . . . 21.93 110.235 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.1 m -116.81 127.49 54.37 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 109.433 -0.58 . . . . 12.33 109.433 179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.1 mt -111.09 139.37 35.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.01 -0.737 . . . . 17.08 109.01 178.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.32 131.07 52.06 Favored 'General case' 0 C--N 1.356 0.878 0 N-CA-C 109.047 -0.723 . . . . 16.3 109.047 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.1 mt -127.04 144.57 50.99 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.414 0.446 . . . . 15.88 111.457 -179.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.92 120.96 39.24 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.452 -1.684 . . . . 28.9 106.452 175.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.2 m -138.98 165.86 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 112.519 0.563 . . . . 12.05 112.519 -176.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -115.74 147.92 40.03 Favored Pre-proline 0 N--CA 1.475 0.805 0 N-CA-C 107.628 -1.249 . . . . 18.17 107.628 176.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.3 -28.04 83.16 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 121.808 1.672 . . . . 8.16 115.082 -178.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.1 p -82.41 -0.12 44.62 Favored 'General case' 0 CA--C 1.548 0.866 0 N-CA-C 113.047 0.758 . . . . 11.13 113.047 179.165 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -72.66 143.99 47.92 Favored 'General case' 0 C--N 1.364 1.209 0 CA-C-N 118.765 0.712 . . . . 18.03 109.269 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.9 p -86.45 158.02 19.68 Favored 'General case' 0 C--N 1.349 0.549 0 O-C-N 123.802 0.689 . . . . 10.22 110.509 178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.6 mm -59.81 -42.12 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 CA-C-N 116.261 -0.427 . . . . 12.3 110.246 178.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -55.9 -37.12 68.44 Favored 'General case' 0 N--CA 1.499 1.994 0 C-N-CA 122.423 0.289 . . . . 36.51 110.284 176.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -69.35 -40.06 77.75 Favored 'General case' 0 N--CA 1.486 1.341 0 O-C-N 123.173 0.295 . . . . 25.66 110.472 178.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.5 t -62.47 -42.54 96.11 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 N-CA-C 109.733 -0.469 . . . . 8.12 109.733 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -61.71 -39.59 92.03 Favored 'General case' 0 N--CA 1.485 1.308 0 CA-C-O 119.483 -0.294 . . . . 15.47 110.433 177.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -38.94 91.75 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 123.089 0.243 . . . . 11.45 111.318 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.24 -38.44 90.38 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 122.732 0.413 . . . . 24.98 110.725 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.88 -41.3 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 CA-C-O 118.985 -0.531 . . . . 9.46 109.675 176.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -58.02 -42.8 86.05 Favored 'General case' 0 N--CA 1.505 2.312 0 C-N-CA 122.972 0.509 . . . . 14.76 109.628 177.307 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.0 m-20 -63.55 -41.81 98.41 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 123.707 0.629 . . . . 26.29 111.383 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.85 -42.73 23.67 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 113.549 0.944 . . . . 30.06 113.549 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -116.24 -5.99 11.84 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 117.256 2.317 . . . . 25.19 117.256 -173.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.76 84.31 Favored Glycine 0 CA--C 1.538 1.477 0 N-CA-C 116.853 1.501 . . . . 7.41 116.853 177.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.4 122.14 73.62 Favored Pre-proline 0 CA--C 1.55 0.947 0 CA-C-O 118.263 -0.875 . . . . 9.49 108.776 179.674 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo -65.59 144.94 80.61 Favored 'Trans proline' 0 C--N 1.386 2.523 0 C-N-CA 122.135 1.89 . . . . 11.42 111.515 179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.3 -31.88 94.74 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.466 2.111 . . . . 12.0 113.693 -178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.42 -18.1 63.71 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 35.55 112.899 -179.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.8 mt-30 -101.43 0.17 36.38 Favored 'General case' 0 CA--C 1.555 1.165 0 N-CA-C 113.081 0.771 . . . . 20.52 113.081 178.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.401 ' HG3' HG22 ' A' ' 36' ' ' ILE . 54.2 mt-30 -104.05 134.1 47.87 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 113.653 0.983 . . . . 7.13 113.653 -177.124 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -122.52 127.33 49.39 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 107.382 -1.34 . . . . 36.39 107.382 176.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -109.58 131.58 54.94 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.061 0.545 . . . . 9.55 110.492 -179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.35 137.41 57.87 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 O-C-N 123.904 0.752 . . . . 13.9 110.771 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -136.36 125.65 24.81 Favored 'General case' 0 C--N 1.35 0.6 0 N-CA-C 108.064 -1.087 . . . . 6.86 108.064 177.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 46.5 21.76 Favored 'General case' 0 CA--C 1.564 1.497 0 CA-C-O 121.305 0.574 . . . . 11.15 112.479 -179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.96 2.45 61.71 Favored Glycine 0 C--N 1.356 1.659 0 N-CA-C 116.242 1.257 . . . . 13.93 116.242 178.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -111.67 136.09 51.38 Favored 'General case' 0 N--CA 1.485 1.309 0 CA-C-N 118.488 1.144 . . . . 23.92 112.07 -178.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -78.13 129.57 35.34 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 108.094 -1.076 . . . . 23.23 108.094 177.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.2 mt -85.94 135.77 33.54 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 112.074 0.398 . . . . 9.11 112.074 -179.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.9 mt-10 -89.31 142.7 27.43 Favored 'General case' 0 N--CA 1.48 1.047 0 O-C-N 123.317 0.386 . . . . 33.44 111.708 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.59 -29.65 70.17 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.949 1.092 . . . . 28.37 113.949 -178.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.45 -0.8 89.41 Favored Glycine 0 CA--C 1.542 1.755 0 CA-C-O 118.917 -0.935 . . . . 15.0 114.897 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.6 mmt85 -103.06 165.0 11.28 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 118.222 1.011 . . . . 25.5 111.15 178.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.1 p -105.63 165.28 11.27 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-O 121.246 0.546 . . . . 11.95 110.565 179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 95.5 mt -59.59 -36.96 77.3 Favored 'General case' 0 N--CA 1.482 1.142 0 CA-C-N 114.978 -1.01 . . . . 10.17 112.619 178.297 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.25 -30.85 70.87 Favored 'General case' 0 C--N 1.364 1.22 0 CA-C-N 119.328 0.967 . . . . 13.59 111.691 178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -61.22 -30.28 70.34 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 112.027 0.38 . . . . 11.7 112.027 178.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.4 m-85 -98.14 10.08 41.36 Favored 'General case' 0 CA--C 1.556 1.194 0 N-CA-C 112.57 0.581 . . . . 12.95 112.57 178.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 56.06 38.59 30.08 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 124.2 1.0 . . . . 25.45 112.68 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.64 124.64 38.72 Favored 'Isoleucine or valine' 0 C--N 1.357 0.899 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.31 172.54 6.95 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 124.215 1.006 . . . . 33.23 111.774 -177.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 pttt -53.03 140.57 24.78 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 113.004 0.742 . . . . 25.97 113.004 -178.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 66.31 17.73 10.76 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.73 1.381 . . . . 32.61 114.73 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.1 m -76.9 153.65 34.5 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 118.819 0.736 . . . . 10.56 109.131 176.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.2 m -112.52 123.12 49.58 Favored 'General case' 0 C--N 1.354 0.776 0 C-N-CA 123.35 0.66 . . . . 5.33 111.402 -179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.3 mp -106.19 154.92 20.02 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 107.851 -1.166 . . . . 11.66 107.851 176.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -112.41 134.02 54.18 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 122.967 0.507 . . . . 16.3 110.612 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.7 tp -108.2 129.07 55.21 Favored 'General case' 0 C--N 1.352 0.682 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.0 t -119.72 137.63 52.96 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 106.93 -1.508 . . . . 9.76 106.93 178.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.6 mt -102.22 136.03 42.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 122.826 0.45 . . . . 19.57 111.146 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 36.0 mtp180 -90.62 172.85 8.39 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.575 0.547 . . . . 35.08 111.245 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.3 tp -158.32 123.01 4.22 Favored 'General case' 0 C--N 1.352 0.683 0 O-C-N 123.286 0.366 . . . . 32.31 111.438 179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -139.24 143.03 37.81 Favored 'General case' 0 C--N 1.353 0.738 0 C-N-CA 122.969 0.507 . . . . 42.75 110.79 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.21 -112.04 0.28 Allowed Glycine 0 C--N 1.353 1.522 0 CA-C-O 119.649 -0.528 . . . . 36.31 112.911 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.354 1.531 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.843 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 111.504 0.187 . . . . 17.17 111.504 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -95.7 142.45 27.98 Favored 'General case' 0 N--CA 1.471 0.605 0 O-C-N 123.531 0.52 . . . . 21.89 110.47 179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.0 pt -134.14 163.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.355 0.831 0 CA-C-N 115.471 -0.786 . . . . 10.83 109.308 178.488 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -123.22 138.48 54.63 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-O 119.367 -0.349 . . . . 10.61 111.229 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.7 t -119.27 124.65 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 N-CA-C 108.343 -0.984 . . . . 9.13 108.343 178.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.9 mtpt -102.89 133.12 48.5 Favored 'General case' 0 C--N 1.354 0.793 0 N-CA-C 109.779 -0.452 . . . . 20.55 109.779 179.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.2 p -99.95 161.84 13.36 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 123.546 0.529 . . . . 11.78 110.633 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -47.56 -52.94 15.95 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 123.83 0.706 . . . . 19.31 112.113 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.8 p -62.49 -8.05 5.61 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 115.341 1.608 . . . . 23.14 115.341 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.33 5.51 52.24 Favored Glycine 0 C--N 1.365 2.191 0 N-CA-C 115.777 1.071 . . . . 19.74 115.777 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -80.17 143.52 33.77 Favored 'General case' 0 C--N 1.365 1.239 0 C-N-CA 120.33 -0.548 . . . . 21.93 110.4 178.696 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.2 m -116.89 127.1 53.93 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 109.447 -0.575 . . . . 12.33 109.447 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.57 139.21 35.2 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 N-CA-C 108.868 -0.789 . . . . 17.08 108.868 178.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.3 131.14 51.96 Favored 'General case' 0 C--N 1.355 0.829 0 N-CA-C 108.96 -0.756 . . . . 16.3 108.96 178.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 46.2 mt -127.16 144.49 51.02 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.426 0.453 . . . . 15.88 111.457 -179.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -97.96 120.96 39.28 Favored 'General case' 0 C--N 1.355 0.826 0 N-CA-C 106.447 -1.686 . . . . 28.9 106.447 175.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.7 m -139.35 166.32 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.916 0 N-CA-C 112.36 0.504 . . . . 12.05 112.36 -176.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -116.29 148.33 41.39 Favored Pre-proline 0 N--CA 1.474 0.749 0 N-CA-C 107.718 -1.215 . . . . 18.17 107.718 176.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -58.39 -27.95 83.28 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.775 1.65 . . . . 8.16 115.145 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.2 p -82.4 -0.12 44.55 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 113.111 0.782 . . . . 11.13 113.111 179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -72.76 143.8 47.84 Favored 'General case' 0 C--N 1.364 1.221 0 CA-C-N 118.792 0.724 . . . . 18.03 109.226 178.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.3 p -86.64 158.2 19.52 Favored 'General case' 0 C--N 1.349 0.556 0 O-C-N 123.787 0.679 . . . . 10.22 110.403 178.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.48 -42.11 86.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.474 0 CA-C-N 116.205 -0.452 . . . . 12.3 110.405 178.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -55.2 -37.52 67.2 Favored 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 122.515 0.326 . . . . 36.51 110.365 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 -68.41 -41.34 80.58 Favored 'General case' 0 N--CA 1.486 1.357 0 O-C-N 123.34 0.4 . . . . 25.66 110.215 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.3 t -61.34 -43.22 96.22 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 N-CA-C 109.925 -0.398 . . . . 8.12 109.925 177.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.48 -39.69 91.83 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 119.473 -0.299 . . . . 15.47 110.426 177.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.92 91.61 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 123.001 0.188 . . . . 11.45 111.149 179.259 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -64.93 -38.84 92.32 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 122.726 0.411 . . . . 24.98 110.755 176.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 71.4 mt -66.7 -41.29 87.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 CA-C-O 119.015 -0.517 . . . . 9.46 109.75 176.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -58.16 -42.63 86.38 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 109.63 -0.507 . . . . 14.76 109.63 177.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.2 m-20 -63.57 -41.94 98.35 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 123.75 0.656 . . . . 26.29 111.447 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mttt -79.92 -42.76 23.42 Favored 'General case' 0 N--CA 1.481 1.08 0 N-CA-C 113.493 0.923 . . . . 30.06 113.493 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.25 -5.84 11.84 Favored 'General case' 0 N--CA 1.486 1.36 0 N-CA-C 117.35 2.352 . . . . 25.19 117.35 -174.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.36 12.71 84.31 Favored Glycine 0 CA--C 1.537 1.453 0 N-CA-C 116.855 1.502 . . . . 7.41 116.855 177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.2 mt -85.58 122.7 73.28 Favored Pre-proline 0 CA--C 1.549 0.93 0 CA-C-O 118.31 -0.852 . . . . 9.49 108.772 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -66.25 146.24 80.56 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.095 1.863 . . . . 11.42 111.435 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -58.74 -32.38 96.87 Favored 'Trans proline' 0 C--N 1.385 2.473 0 C-N-CA 122.495 2.13 . . . . 12.0 113.759 -178.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -69.45 -17.28 63.62 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 113.048 0.759 . . . . 35.55 113.048 -179.178 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.6 mt-30 -101.44 0.07 36.18 Favored 'General case' 0 CA--C 1.555 1.173 0 N-CA-C 113.089 0.774 . . . . 20.52 113.089 178.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -104.48 134.02 48.37 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 113.634 0.976 . . . . 7.13 113.634 -177.113 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.9 49.9 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 107.519 -1.289 . . . . 36.39 107.519 176.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.0 mt -108.88 131.18 55.26 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.418 0.554 . . . . 9.55 110.305 -179.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.7 mm -123.99 133.3 69.64 Favored 'Isoleucine or valine' 0 C--N 1.351 0.667 0 CA-C-N 115.509 -0.769 . . . . 13.9 110.371 -177.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.1 t80 -135.0 124.35 24.72 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 108.197 -1.038 . . . . 6.86 108.197 177.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.81 46.37 21.84 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-O 121.355 0.598 . . . . 11.15 112.338 -179.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.41 2.8 64.25 Favored Glycine 0 C--N 1.357 1.716 0 N-CA-C 116.097 1.199 . . . . 13.93 116.097 178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.86 136.1 51.61 Favored 'General case' 0 N--CA 1.487 1.424 0 CA-C-N 118.37 1.085 . . . . 23.92 112.384 -178.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -77.94 129.11 34.93 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 107.975 -1.12 . . . . 23.23 107.975 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.8 mt -85.66 135.49 33.75 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 111.992 0.368 . . . . 9.11 111.992 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -89.35 142.42 27.68 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.354 0.409 . . . . 33.44 111.754 -179.558 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.41 -28.43 69.25 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.057 1.132 . . . . 28.37 114.057 -178.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.62 -0.78 87.84 Favored Glycine 0 CA--C 1.543 1.781 0 CA-C-O 118.87 -0.961 . . . . 15.0 114.953 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.4 mmt85 -103.14 165.04 11.26 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 118.241 1.02 . . . . 25.5 111.172 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 67.9 p -105.63 165.16 11.36 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 121.195 0.521 . . . . 11.95 110.67 179.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.7 mt -59.63 -36.49 76.47 Favored 'General case' 0 N--CA 1.483 1.192 0 CA-C-N 114.896 -1.047 . . . . 10.17 112.615 178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.0 p -68.19 -30.29 69.35 Favored 'General case' 0 C--N 1.364 1.218 0 CA-C-N 119.491 1.041 . . . . 13.59 111.871 179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.28 -30.25 70.36 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 111.975 0.361 . . . . 11.7 111.975 178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -97.79 10.15 40.84 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 112.538 0.57 . . . . 12.95 112.538 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.9 m-80 56.06 38.54 30.02 Favored 'General case' 0 C--N 1.366 1.321 0 C-N-CA 124.152 0.981 . . . . 25.45 112.621 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.76 124.7 38.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.887 0 N-CA-C 107.896 -1.15 . . . . 14.6 107.896 177.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.54 172.69 6.87 Favored 'General case' 0 C--N 1.352 0.717 0 C-N-CA 123.967 0.907 . . . . 33.23 111.756 -177.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.3 pttt -52.88 140.62 23.95 Favored 'General case' 0 N--CA 1.487 1.415 0 N-CA-C 113.063 0.764 . . . . 25.97 113.063 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.36 17.7 10.74 Favored 'General case' 0 CA--C 1.55 0.945 0 N-CA-C 114.702 1.371 . . . . 32.61 114.702 -179.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 32.1 m -76.96 153.71 34.32 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 118.956 0.798 . . . . 10.56 109.208 176.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.59 123.11 49.55 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.311 0.645 . . . . 5.33 111.352 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.1 154.89 20.02 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.685 -1.228 . . . . 11.66 107.685 176.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.05 134.16 53.77 Favored 'General case' 0 C--N 1.352 0.686 0 C-N-CA 122.761 0.425 . . . . 16.3 110.56 179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.0 tp -107.68 128.77 54.85 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 109.424 -0.584 . . . . 9.96 109.424 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.6 t -119.49 134.64 62.43 Favored 'Isoleucine or valine' 0 C--N 1.358 0.976 0 N-CA-C 106.59 -1.633 . . . . 9.76 106.59 178.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.5 mt -100.06 133.51 44.34 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.83 0.452 . . . . 19.57 111.359 -179.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 50.9 ttt180 -92.27 152.69 19.69 Favored 'General case' 0 C--N 1.353 0.746 0 O-C-N 123.558 0.536 . . . . 35.08 110.436 179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -150.18 114.59 5.19 Favored 'General case' 0 N--CA 1.474 0.745 0 O-C-N 123.382 0.426 . . . . 32.31 110.949 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 77.5 mmt-85 -140.35 144.46 36.31 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.794 0.438 . . . . 42.75 110.613 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 160.49 -66.46 0.27 Allowed Glycine 0 C--N 1.352 1.461 0 O-C-N 123.626 0.579 . . . . 36.31 112.949 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.48 0 CA-C-O 118.413 -1.215 . . . . 36.2 112.413 -179.913 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 111.367 0.136 . . . . 17.17 111.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -95.77 143.75 26.74 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.965 0.506 . . . . 21.89 110.345 179.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.8 pt -135.38 163.74 34.89 Favored 'Isoleucine or valine' 0 C--N 1.356 0.861 0 CA-C-N 115.466 -0.788 . . . . 10.83 109.439 178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.1 m-85 -122.8 138.42 54.64 Favored 'General case' 0 N--CA 1.479 0.988 0 CA-C-O 119.25 -0.405 . . . . 10.61 111.153 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.3 t -119.18 124.0 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.25 0 N-CA-C 108.275 -1.009 . . . . 9.13 108.275 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 24.6 mtmt -102.77 131.96 49.26 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 109.698 -0.482 . . . . 20.55 109.698 178.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 26.3 p -98.93 162.77 12.9 Favored 'General case' 0 N--CA 1.478 0.928 0 O-C-N 123.486 0.491 . . . . 11.78 110.307 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 62.3 mt -46.08 -53.15 10.75 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 123.843 0.715 . . . . 19.31 111.828 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.3 p -62.07 -7.52 4.09 Favored 'General case' 0 N--CA 1.487 1.386 0 N-CA-C 115.27 1.582 . . . . 23.14 115.27 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.61 5.43 56.77 Favored Glycine 0 C--N 1.365 2.165 0 N-CA-C 115.502 0.961 . . . . 19.74 115.502 178.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 47.7 tttp -78.29 144.52 36.06 Favored 'General case' 0 C--N 1.362 1.147 0 C-N-CA 120.623 -0.431 . . . . 21.93 110.087 178.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.3 m -117.16 127.31 53.99 Favored 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 109.715 -0.476 . . . . 12.33 109.715 179.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -110.56 138.84 36.8 Favored 'Isoleucine or valine' 0 C--N 1.358 0.949 0 N-CA-C 108.947 -0.76 . . . . 17.08 108.947 178.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -102.5 130.65 49.38 Favored 'General case' 0 C--N 1.352 0.713 0 N-CA-C 108.579 -0.897 . . . . 16.3 108.579 177.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mp -124.77 140.16 53.18 Favored 'General case' 0 N--CA 1.477 0.899 0 O-C-N 123.418 0.449 . . . . 15.88 110.629 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.7 120.33 36.82 Favored 'General case' 0 C--N 1.353 0.731 0 N-CA-C 106.007 -1.849 . . . . 28.9 106.007 175.111 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.6 m -139.31 166.73 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -116.2 147.91 40.43 Favored Pre-proline 0 N--CA 1.473 0.711 0 N-CA-C 107.612 -1.255 . . . . 18.17 107.612 176.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -57.89 -28.16 81.5 Favored 'Trans proline' 0 C--N 1.382 2.312 0 C-N-CA 121.855 1.704 . . . . 8.16 115.027 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.14 -0.0 42.88 Favored 'General case' 0 CA--C 1.549 0.928 0 N-CA-C 113.076 0.769 . . . . 11.13 113.076 179.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -72.62 143.81 48.06 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 118.774 0.715 . . . . 18.03 109.338 178.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -86.4 158.03 19.71 Favored 'General case' 0 C--N 1.348 0.539 0 CA-C-N 115.746 -0.661 . . . . 10.22 110.547 178.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.42 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -60.13 -42.02 88.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 CA-C-N 116.313 -0.403 . . . . 12.3 110.324 178.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -55.86 -37.28 68.57 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 110.109 -0.33 . . . . 36.51 110.109 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.05 -39.73 78.99 Favored 'General case' 0 N--CA 1.484 1.272 0 O-C-N 123.224 0.327 . . . . 25.66 110.387 178.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.56 -42.67 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.581 -0.526 . . . . 8.12 109.581 176.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mttt -61.28 -39.95 92.33 Favored 'General case' 0 N--CA 1.487 1.409 0 CA-C-O 119.374 -0.346 . . . . 15.47 110.325 177.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.2 92.65 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.01 0.194 . . . . 11.45 111.255 179.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.01 -38.75 91.97 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 122.659 0.384 . . . . 24.98 110.842 176.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 84.4 mt -66.65 -41.62 88.47 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.226 0 N-CA-C 109.614 -0.513 . . . . 9.46 109.614 176.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.0 tt0 -58.11 -42.79 86.5 Favored 'General case' 0 N--CA 1.503 2.182 0 N-CA-C 109.617 -0.512 . . . . 14.76 109.617 177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -63.69 -41.75 98.09 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 123.779 0.674 . . . . 26.29 111.433 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.7 mttt -79.85 -42.54 24.07 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.596 0.962 . . . . 30.06 113.596 -178.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.9 mm-40 -116.27 -5.92 11.83 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 117.33 2.344 . . . . 25.19 117.33 -174.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.3 12.53 84.49 Favored Glycine 0 CA--C 1.537 1.458 0 N-CA-C 116.848 1.499 . . . . 7.41 116.848 177.4 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.37 121.73 73.69 Favored Pre-proline 0 CA--C 1.549 0.911 0 CA-C-O 118.234 -0.889 . . . . 9.49 108.824 179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.14 145.04 83.63 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.172 1.914 . . . . 11.42 111.444 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.6 Cg_exo -58.38 -32.23 95.73 Favored 'Trans proline' 0 C--N 1.385 2.45 0 C-N-CA 122.565 2.177 . . . . 12.0 113.927 -178.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -69.0 -17.56 63.94 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.131 0.789 . . . . 35.55 113.131 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -101.79 0.16 35.29 Favored 'General case' 0 CA--C 1.558 1.257 0 N-CA-C 113.185 0.809 . . . . 20.52 113.185 178.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.9 mt-30 -104.03 134.15 47.79 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.672 0.99 . . . . 7.13 113.672 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.7 mtt180 -122.67 127.66 49.58 Favored 'General case' 0 C--N 1.356 0.885 0 N-CA-C 107.344 -1.354 . . . . 36.39 107.344 176.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 83.5 mt -109.95 131.47 55.03 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.403 0.547 . . . . 9.55 110.681 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.99 137.37 57.93 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.809 0 O-C-N 123.901 0.751 . . . . 13.9 110.716 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -136.92 126.53 25.31 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.778 -1.193 . . . . 6.86 107.778 177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.91 44.65 18.55 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-N 118.815 0.734 . . . . 11.15 112.762 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.37 0.48 66.86 Favored Glycine 0 CA--C 1.541 1.659 0 N-CA-C 116.686 1.434 . . . . 13.93 116.686 178.013 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.4 ptpp? -111.37 137.42 49.17 Favored 'General case' 0 N--CA 1.489 1.493 0 CA-C-N 118.723 1.262 . . . . 23.92 112.449 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.08 129.32 35.07 Favored 'General case' 0 N--CA 1.481 1.102 0 N-CA-C 108.047 -1.094 . . . . 23.23 108.047 177.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 25.5 mt -85.81 135.53 33.68 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 111.915 0.339 . . . . 9.11 111.915 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.42 142.66 27.47 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.327 0.392 . . . . 33.44 111.698 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.42 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.5 m-20 -61.3 -31.0 70.83 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.931 1.086 . . . . 28.37 113.931 -178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.0 -1.0 90.65 Favored Glycine 0 CA--C 1.543 1.808 0 CA-C-O 118.878 -0.957 . . . . 15.0 114.872 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 -102.83 164.6 11.53 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-N 118.217 1.009 . . . . 25.5 111.088 178.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 60.1 p -105.45 165.14 11.34 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.012 0.525 . . . . 11.95 110.498 178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.39 -37.1 77.11 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 115.009 -0.996 . . . . 10.17 112.676 178.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.2 t -67.38 -31.21 71.28 Favored 'General case' 0 C--N 1.366 1.308 0 CA-C-N 119.379 0.99 . . . . 13.59 111.721 179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 58.2 m-20 -61.43 -30.06 70.34 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 111.93 0.345 . . . . 11.7 111.93 179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -98.73 9.66 42.87 Favored 'General case' 0 CA--C 1.555 1.146 0 N-CA-C 112.513 0.56 . . . . 12.95 112.513 178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 56.36 38.65 29.92 Favored 'General case' 0 C--N 1.363 1.187 0 C-N-CA 124.125 0.97 . . . . 25.45 112.94 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.9 mt -80.65 124.86 38.99 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 107.827 -1.175 . . . . 14.6 107.827 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.87 172.81 6.82 Favored 'General case' 0 C--N 1.352 0.705 0 C-N-CA 124.001 0.92 . . . . 33.23 111.864 -177.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.9 pttt -53.08 140.66 24.85 Favored 'General case' 0 N--CA 1.488 1.453 0 N-CA-C 113.149 0.796 . . . . 25.97 113.149 -178.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 66.38 17.54 10.7 Favored 'General case' 0 CA--C 1.55 0.953 0 N-CA-C 114.815 1.413 . . . . 32.61 114.815 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.9 m -76.78 153.67 34.73 Favored 'General case' 0 N--CA 1.478 0.969 0 O-C-N 121.408 -0.808 . . . . 10.56 109.152 176.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.42 123.19 49.73 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 123.356 0.663 . . . . 5.33 111.146 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.18 154.77 20.22 Favored 'General case' 0 C--N 1.354 0.776 0 N-CA-C 107.705 -1.22 . . . . 11.66 107.705 176.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.58 134.02 54.32 Favored 'General case' 0 C--N 1.35 0.624 0 C-N-CA 122.957 0.503 . . . . 16.3 110.466 179.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 47.9 tp -108.19 129.12 55.2 Favored 'General case' 0 C--N 1.352 0.676 0 N-CA-C 109.465 -0.569 . . . . 9.96 109.465 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.6 t -119.41 136.03 57.88 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 106.667 -1.605 . . . . 9.76 106.667 178.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.2 mt -101.3 130.22 47.42 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.764 0.426 . . . . 19.57 111.381 -179.145 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 54.2 ttt-85 -94.11 142.84 26.94 Favored 'General case' 0 C--N 1.354 0.77 0 O-C-N 123.457 0.473 . . . . 35.08 110.209 179.593 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 72.9 mt -142.96 135.4 27.47 Favored 'General case' 0 C--N 1.353 0.718 0 C-N-CA 122.76 0.424 . . . . 32.31 110.893 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.6 mmt180 -139.84 -54.44 0.54 Allowed 'General case' 0 C--N 1.354 0.785 0 C-N-CA 122.782 0.433 . . . . 42.75 110.621 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.87 123.47 6.2 Favored Glycine 0 C--N 1.346 1.114 0 O-C-N 123.747 0.654 . . . . 36.31 112.445 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.472 0 CA-C-O 118.507 -1.163 . . . . 36.2 112.572 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.6 ptt? . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 111.394 0.146 . . . . 17.17 111.394 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -95.32 142.05 28.17 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.469 0.481 . . . . 21.89 110.582 179.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 pt -133.37 163.02 38.8 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.344 -0.843 . . . . 10.83 109.112 178.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -123.65 139.18 54.25 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 118.101 0.41 . . . . 10.61 111.529 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.1 t -120.4 125.01 73.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 N-CA-C 108.686 -0.857 . . . . 9.13 108.686 178.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -103.2 136.63 42.63 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 122.562 0.345 . . . . 20.55 110.73 179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -102.02 160.67 14.3 Favored 'General case' 0 C--N 1.363 1.167 0 O-C-N 123.47 0.481 . . . . 11.78 111.331 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.6 mt -64.05 -11.02 25.62 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 115.245 1.572 . . . . 19.31 115.245 -179.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.04 -11.42 21.5 Favored 'General case' 0 N--CA 1.484 1.249 0 N-CA-C 113.135 0.791 . . . . 23.14 113.135 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.03 16.46 7.86 Favored Glycine 0 C--N 1.356 1.672 0 N-CA-C 115.751 1.06 . . . . 19.74 115.751 178.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 45.4 tttp -101.69 136.08 42.13 Favored 'General case' 0 C--N 1.367 1.359 0 N-CA-C 113.22 0.822 . . . . 21.93 113.22 -177.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.6 m -114.82 123.37 49.02 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.171 -1.048 . . . . 12.33 108.171 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.51 138.82 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 N-CA-C 108.759 -0.83 . . . . 17.08 108.759 178.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.9 m -103.61 130.74 51.09 Favored 'General case' 0 C--N 1.356 0.856 0 N-CA-C 108.715 -0.846 . . . . 16.3 108.715 178.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.3 mt -126.88 143.66 51.21 Favored 'General case' 0 N--CA 1.479 1.024 0 O-C-N 123.503 0.502 . . . . 15.88 111.261 -179.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -97.59 120.9 38.81 Favored 'General case' 0 C--N 1.354 0.767 0 N-CA-C 106.304 -1.739 . . . . 28.9 106.304 175.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.1 m -139.62 166.47 20.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.856 0 N-CA-C 112.231 0.456 . . . . 12.05 112.231 -176.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -115.94 148.22 40.87 Favored Pre-proline 0 C--O 1.242 0.687 0 N-CA-C 107.568 -1.271 . . . . 18.17 107.568 175.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.72 -27.41 77.56 Favored 'Trans proline' 0 C--N 1.38 2.189 0 C-N-CA 121.887 1.725 . . . . 8.16 114.835 -178.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.53 -0.26 45.81 Favored 'General case' 0 C--N 1.355 0.834 0 N-CA-C 113.209 0.818 . . . . 11.13 113.209 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.52 143.74 48.24 Favored 'General case' 0 C--N 1.365 1.242 0 CA-C-N 118.92 0.782 . . . . 18.03 109.121 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.2 p -86.77 157.91 19.5 Favored 'General case' 0 C--N 1.35 0.588 0 O-C-N 123.862 0.726 . . . . 10.22 110.399 178.558 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.37 -42.3 87.04 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 CA-C-N 116.335 -0.393 . . . . 12.3 110.423 178.124 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.37 -37.35 67.43 Favored 'General case' 0 N--CA 1.501 2.102 0 C-N-CA 122.295 0.238 . . . . 36.51 110.535 176.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -68.69 -40.62 79.95 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 123.227 0.329 . . . . 25.66 110.375 178.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.4 t -61.79 -43.07 96.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.251 0 N-CA-C 109.905 -0.406 . . . . 8.12 109.905 176.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mttm -61.28 -39.7 91.38 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-O 119.599 -0.238 . . . . 15.47 110.374 177.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -38.94 91.72 Favored 'General case' 0 N--CA 1.486 1.375 0 CA-C-N 117.509 0.141 . . . . 11.45 111.285 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.8 mttm -65.3 -38.41 90.14 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.299 0.374 . . . . 24.98 110.856 176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.6 mt -66.9 -41.39 87.53 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.666 -0.494 . . . . 9.46 109.666 176.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -58.05 -42.87 86.34 Favored 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 109.629 -0.508 . . . . 14.76 109.629 177.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.4 m-20 -63.53 -41.66 98.46 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.791 0.682 . . . . 26.29 111.503 -179.476 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.4 mttt -79.95 -42.42 24.02 Favored 'General case' 0 N--CA 1.481 1.088 0 N-CA-C 113.473 0.916 . . . . 30.06 113.473 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 24.3 mm-40 -116.39 -6.03 11.76 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 117.352 2.353 . . . . 25.19 117.352 -174.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.21 12.6 84.45 Favored Glycine 0 CA--C 1.538 1.512 0 N-CA-C 116.809 1.484 . . . . 7.41 116.809 177.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.39 122.26 73.61 Favored Pre-proline 0 CA--C 1.547 0.861 0 CA-C-O 118.306 -0.854 . . . . 9.49 108.89 179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_exo -65.76 144.72 78.73 Favored 'Trans proline' 0 C--N 1.386 2.54 0 C-N-CA 122.067 1.845 . . . . 11.42 111.419 179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -58.12 -32.11 94.82 Favored 'Trans proline' 0 C--N 1.386 2.552 0 C-N-CA 122.465 2.11 . . . . 12.0 113.842 -178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -69.11 -17.88 63.9 Favored 'General case' 0 N--CA 1.479 1.022 0 N-CA-C 113.138 0.792 . . . . 35.55 113.138 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -101.24 -0.54 35.65 Favored 'General case' 0 CA--C 1.555 1.136 0 N-CA-C 113.041 0.756 . . . . 20.52 113.041 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.4 mt-30 -103.55 133.98 47.66 Favored 'General case' 0 C--N 1.357 0.916 0 N-CA-C 113.575 0.954 . . . . 7.13 113.575 -177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.9 mtt180 -122.66 127.44 49.31 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 107.297 -1.371 . . . . 36.39 107.297 176.299 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.8 mt -109.51 131.23 55.26 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.06 0.544 . . . . 9.55 110.803 -178.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.1 136.52 60.59 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.744 0 O-C-N 123.849 0.718 . . . . 13.9 110.869 -178.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -135.84 125.07 24.61 Favored 'General case' 0 C--N 1.351 0.662 0 N-CA-C 108.041 -1.096 . . . . 6.86 108.041 177.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.69 46.38 21.42 Favored 'General case' 0 N--CA 1.489 1.481 0 CA-C-O 121.295 0.569 . . . . 11.15 112.438 -179.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.63 62.66 Favored Glycine 0 C--N 1.356 1.692 0 N-CA-C 116.303 1.281 . . . . 13.93 116.303 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -111.68 136.13 51.34 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-N 118.389 1.094 . . . . 23.92 112.298 -178.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -78.09 128.97 34.64 Favored 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 108.029 -1.1 . . . . 23.23 108.029 177.395 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 mt -85.78 135.47 33.72 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 122.608 0.363 . . . . 9.11 111.858 -179.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -89.59 142.85 27.3 Favored 'General case' 0 N--CA 1.481 1.094 0 O-C-N 123.442 0.464 . . . . 33.44 111.794 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.3 m-20 -61.41 -30.43 70.55 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 114.009 1.115 . . . . 28.37 114.009 -178.13 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.01 -0.67 89.71 Favored Glycine 0 CA--C 1.542 1.774 0 CA-C-O 118.958 -0.912 . . . . 15.0 115.018 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 71.2 mmt-85 -103.52 165.07 11.26 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 118.244 1.022 . . . . 25.5 111.228 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.2 p -105.61 165.42 11.17 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-O 121.248 0.547 . . . . 11.95 110.802 179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 92.5 mt -59.41 -37.7 78.71 Favored 'General case' 0 N--CA 1.483 1.19 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.566 178.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.8 t -66.74 -30.96 71.32 Favored 'General case' 0 C--N 1.364 1.213 0 CA-C-N 119.228 0.922 . . . . 13.59 111.746 179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.26 -30.2 70.32 Favored 'General case' 0 N--CA 1.488 1.435 0 N-CA-C 112.049 0.389 . . . . 11.7 112.049 178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 85.1 m-85 -98.37 9.79 42.25 Favored 'General case' 0 CA--C 1.557 1.224 0 N-CA-C 112.488 0.551 . . . . 12.95 112.488 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.5 m120 56.13 38.72 30.15 Favored 'General case' 0 C--N 1.367 1.333 0 C-N-CA 124.116 0.966 . . . . 25.45 112.721 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.74 124.4 38.51 Favored 'Isoleucine or valine' 0 C--N 1.358 0.94 0 N-CA-C 107.914 -1.143 . . . . 14.6 107.914 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 70.3 mt-30 -114.01 172.24 7.11 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.272 1.029 . . . . 33.23 111.927 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -52.78 140.66 23.37 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 112.891 0.7 . . . . 25.97 112.891 -178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 66.29 17.5 10.72 Favored 'General case' 0 CA--C 1.549 0.904 0 N-CA-C 114.813 1.412 . . . . 32.61 114.813 -179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.61 153.1 35.59 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 118.796 0.726 . . . . 10.56 109.093 175.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.8 m -112.43 123.33 50.05 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 123.428 0.691 . . . . 5.33 111.309 -179.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.32 155.07 19.89 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.892 -1.151 . . . . 11.66 107.892 176.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -112.42 134.12 54.13 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 122.702 0.401 . . . . 16.3 110.593 179.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -107.97 129.03 55.14 Favored 'General case' 0 C--N 1.355 0.808 0 N-CA-C 109.635 -0.506 . . . . 9.96 109.635 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.85 138.06 51.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.02 0 N-CA-C 107.145 -1.428 . . . . 9.76 107.145 178.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 38.6 mt -102.09 130.68 48.75 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 122.853 0.461 . . . . 19.57 111.055 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.3 ttt-85 -96.2 123.59 39.89 Favored 'General case' 0 C--N 1.354 0.782 0 O-C-N 123.533 0.52 . . . . 35.08 110.736 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.6 mt -145.36 103.77 3.86 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 122.866 0.466 . . . . 32.31 110.687 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 47.4 ttt85 -97.23 128.61 44.26 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 122.838 0.455 . . . . 42.75 110.681 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.09 -75.83 1.7 Allowed Glycine 0 C--N 1.352 1.466 0 O-C-N 123.628 0.58 . . . . 36.31 112.474 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.485 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.509 179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 111.346 0.128 . . . . 17.17 111.346 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -95.43 142.78 27.39 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.0 0.52 . . . . 21.89 110.361 179.528 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -133.91 163.46 37.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.919 0 CA-C-N 115.369 -0.832 . . . . 10.83 109.331 178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -123.8 139.34 54.07 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.377 -0.344 . . . . 10.61 111.397 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.0 t -120.2 124.98 73.71 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 N-CA-C 108.49 -0.93 . . . . 9.13 108.49 178.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.6 ttpt -102.84 135.37 44.64 Favored 'General case' 0 C--N 1.358 0.969 0 C-N-CA 123.039 0.536 . . . . 20.55 110.368 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.99 160.38 14.55 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 123.329 0.393 . . . . 11.78 111.34 -179.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.3 mt -64.02 -11.19 26.89 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 115.204 1.557 . . . . 19.31 115.204 -179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.06 -11.52 21.39 Favored 'General case' 0 C--N 1.364 1.219 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.1 16.9 7.55 Favored Glycine 0 C--N 1.357 1.706 0 N-CA-C 115.751 1.061 . . . . 19.74 115.751 178.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -102.37 136.98 41.23 Favored 'General case' 0 C--N 1.368 1.389 0 N-CA-C 113.409 0.892 . . . . 21.93 113.409 -177.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.4 m -115.26 123.02 47.75 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 108.329 -0.989 . . . . 12.33 108.329 177.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.1 mt -107.86 138.63 33.3 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 N-CA-C 108.525 -0.917 . . . . 17.08 108.525 178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.7 m -103.43 130.59 50.8 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 108.729 -0.841 . . . . 16.3 108.729 177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.1 mt -126.89 143.46 51.27 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.561 0.538 . . . . 15.88 111.232 -179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -97.51 120.81 38.55 Favored 'General case' 0 C--N 1.353 0.761 0 N-CA-C 106.277 -1.749 . . . . 28.9 106.277 175.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.3 m -139.54 166.94 20.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 N-CA-C 112.192 0.442 . . . . 12.05 112.192 -176.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -116.58 146.82 38.41 Favored Pre-proline 0 C--O 1.242 0.673 0 N-CA-C 107.401 -1.333 . . . . 18.17 107.401 176.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.65 -27.21 69.09 Favored 'Trans proline' 0 C--N 1.379 2.137 0 C-N-CA 121.853 1.702 . . . . 8.16 115.027 -178.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.6 p -82.56 -0.31 46.19 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 113.13 0.789 . . . . 11.13 113.13 179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -72.62 144.14 47.93 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 118.885 0.766 . . . . 18.03 109.417 178.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.83 157.69 19.51 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 123.866 0.729 . . . . 10.22 110.608 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.406 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.9 mm -59.45 -42.69 88.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.461 0 CA-C-N 116.28 -0.418 . . . . 12.3 110.228 178.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -55.45 -37.33 67.6 Favored 'General case' 0 N--CA 1.5 2.051 0 C-N-CA 122.451 0.3 . . . . 36.51 110.334 176.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -69.08 -40.31 78.53 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 123.222 0.326 . . . . 25.66 110.472 178.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.423 HG21 HD21 ' A' ' 56' ' ' LEU . 97.0 t -62.1 -42.79 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 N-CA-C 109.659 -0.497 . . . . 8.12 109.659 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.46 -39.74 91.97 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 122.307 0.243 . . . . 15.47 110.387 177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.46 -39.09 92.26 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 122.898 0.124 . . . . 11.45 111.272 179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.2 mttm -65.09 -38.66 91.46 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 122.718 0.407 . . . . 24.98 110.751 176.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.1 mt -66.82 -41.43 87.78 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.704 -0.48 . . . . 9.46 109.704 176.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -57.83 -43.16 85.61 Favored 'General case' 0 N--CA 1.505 2.285 0 N-CA-C 109.631 -0.507 . . . . 14.76 109.631 177.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -63.37 -41.92 98.83 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 123.727 0.642 . . . . 26.29 111.501 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 mttm -79.64 -42.57 24.57 Favored 'General case' 0 N--CA 1.48 1.066 0 N-CA-C 113.597 0.962 . . . . 30.06 113.597 -178.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.2 mm-40 -116.15 -5.94 11.89 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 117.384 2.364 . . . . 25.19 117.384 -174.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.07 12.62 84.47 Favored Glycine 0 CA--C 1.538 1.481 0 N-CA-C 116.869 1.508 . . . . 7.41 116.869 177.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.6 122.0 73.34 Favored Pre-proline 0 CA--C 1.549 0.92 0 CA-C-O 118.331 -0.842 . . . . 9.49 108.781 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.27 145.89 84.86 Favored 'Trans proline' 0 C--N 1.387 2.597 0 C-N-CA 121.964 1.776 . . . . 11.42 111.432 179.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.23 -32.29 96.7 Favored 'Trans proline' 0 C--N 1.385 2.476 0 C-N-CA 122.409 2.073 . . . . 12.0 113.811 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -69.34 -17.29 63.69 Favored 'General case' 0 N--CA 1.481 1.1 0 N-CA-C 113.074 0.768 . . . . 35.55 113.074 -179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.7 mt-30 -101.12 -0.62 35.85 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 113.033 0.753 . . . . 20.52 113.033 178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -103.58 134.19 47.35 Favored 'General case' 0 C--N 1.358 0.945 0 N-CA-C 113.622 0.971 . . . . 7.13 113.622 -177.212 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.0 mtt180 -122.66 127.45 49.33 Favored 'General case' 0 C--N 1.356 0.865 0 N-CA-C 107.209 -1.404 . . . . 36.39 107.209 176.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.8 mt -109.66 131.44 55.06 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 122.957 0.503 . . . . 9.55 110.671 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.15 136.36 61.1 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 O-C-N 123.829 0.706 . . . . 13.9 110.72 -178.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -135.77 124.93 24.48 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 107.978 -1.119 . . . . 6.86 107.978 177.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.78 46.42 21.72 Favored 'General case' 0 CA--C 1.563 1.477 0 CA-C-O 121.306 0.574 . . . . 11.15 112.477 -179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.95 2.67 62.19 Favored Glycine 0 C--N 1.356 1.687 0 N-CA-C 116.159 1.224 . . . . 13.93 116.159 178.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.7 mttt -111.7 136.1 51.4 Favored 'General case' 0 N--CA 1.486 1.348 0 CA-C-N 118.45 1.125 . . . . 23.92 112.213 -178.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -78.13 129.03 34.68 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 107.97 -1.122 . . . . 23.23 107.97 177.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.78 135.63 33.65 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 111.966 0.358 . . . . 9.11 111.966 -179.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -89.45 142.91 27.24 Favored 'General case' 0 N--CA 1.48 1.067 0 O-C-N 123.377 0.423 . . . . 33.44 111.728 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.57 -28.91 69.68 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 114.072 1.138 . . . . 28.37 114.072 -178.263 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.31 -0.83 88.4 Favored Glycine 0 CA--C 1.541 1.694 0 CA-C-O 118.971 -0.905 . . . . 15.0 114.973 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.6 mmm-85 -102.78 165.03 11.29 Favored 'General case' 0 N--CA 1.481 1.118 0 CA-C-N 118.279 1.039 . . . . 25.5 111.038 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.1 p -105.75 165.6 11.06 Favored 'General case' 0 N--CA 1.48 1.055 0 CA-C-O 121.148 0.499 . . . . 11.95 110.517 178.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD21 HG21 ' A' ' 26' ' ' VAL . 94.6 mt -59.61 -37.05 77.55 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 114.954 -1.021 . . . . 10.17 112.645 178.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 94.6 p -67.56 -30.42 70.05 Favored 'General case' 0 C--N 1.363 1.184 0 CA-C-N 119.448 1.022 . . . . 13.59 112.058 179.227 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.4 m-20 -61.11 -30.17 70.21 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.062 0.393 . . . . 11.7 112.062 178.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 79.2 m-85 -98.25 9.76 42.24 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 112.428 0.529 . . . . 12.95 112.428 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.8 m-80 56.04 38.9 30.42 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.236 1.014 . . . . 25.45 112.594 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.2 mt -80.75 124.44 38.56 Favored 'Isoleucine or valine' 0 C--N 1.356 0.878 0 N-CA-C 107.841 -1.17 . . . . 14.6 107.841 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -114.39 172.44 7.01 Favored 'General case' 0 C--N 1.351 0.658 0 C-N-CA 124.22 1.008 . . . . 33.23 111.785 -177.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 pttt -52.76 140.66 23.25 Favored 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 113.102 0.778 . . . . 25.97 113.102 -178.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 66.18 17.53 10.76 Favored 'General case' 0 CA--C 1.55 0.974 0 N-CA-C 114.901 1.445 . . . . 32.61 114.901 -179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.6 m -76.57 153.1 35.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.805 0.729 . . . . 10.56 109.128 176.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.6 m -112.32 123.36 50.11 Favored 'General case' 0 C--N 1.354 0.796 0 C-N-CA 123.331 0.653 . . . . 5.33 111.203 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.28 155.2 19.74 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 107.616 -1.253 . . . . 11.66 107.616 176.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -112.36 134.14 54.07 Favored 'General case' 0 C--N 1.35 0.591 0 C-N-CA 122.72 0.408 . . . . 16.3 110.583 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.09 128.99 55.17 Favored 'General case' 0 C--N 1.354 0.784 0 N-CA-C 109.576 -0.527 . . . . 9.96 109.576 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.1 t -119.98 136.18 57.9 Favored 'Isoleucine or valine' 0 C--N 1.36 1.033 0 N-CA-C 107.013 -1.477 . . . . 9.76 107.013 178.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 47.3 mt -100.37 131.65 46.18 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 122.787 0.435 . . . . 19.57 111.404 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 10.5 ttm180 -90.75 147.22 23.37 Favored 'General case' 0 C--N 1.353 0.752 0 O-C-N 123.528 0.518 . . . . 35.08 110.472 179.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 83.3 mt -144.61 150.05 36.79 Favored 'General case' 0 C--N 1.352 0.709 0 C-N-CA 122.659 0.384 . . . . 32.31 110.937 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.89 114.83 7.37 Favored 'General case' 0 C--N 1.351 0.662 0 O-C-N 123.448 0.468 . . . . 42.75 110.888 -179.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -160.08 -129.08 1.01 Allowed Glycine 0 C--N 1.354 1.547 0 O-C-N 123.613 0.57 . . . . 36.31 112.769 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.377 -1.235 . . . . 36.2 112.855 179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.37 0.137 . . . . 17.17 111.37 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -95.64 143.05 27.24 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.435 0.459 . . . . 21.89 110.485 179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.3 pt -134.61 163.41 36.8 Favored 'Isoleucine or valine' 0 C--N 1.356 0.848 0 CA-C-N 115.408 -0.814 . . . . 10.83 109.359 178.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -123.03 138.46 54.68 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-O 119.368 -0.349 . . . . 10.61 111.259 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.6 t -119.44 124.69 73.43 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.276 0 N-CA-C 108.327 -0.99 . . . . 9.13 108.327 178.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.7 mttm -102.96 133.51 47.94 Favored 'General case' 0 C--N 1.355 0.827 0 N-CA-C 109.95 -0.389 . . . . 20.55 109.95 178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.4 p -99.63 161.89 13.34 Favored 'General case' 0 C--N 1.356 0.869 0 O-C-N 123.533 0.52 . . . . 11.78 110.615 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.1 mt -47.14 -53.12 13.69 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 123.729 0.643 . . . . 19.31 111.964 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.2 p -62.24 -7.98 5.04 Favored 'General case' 0 N--CA 1.486 1.329 0 N-CA-C 115.306 1.595 . . . . 23.14 115.306 -178.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.81 5.09 54.11 Favored Glycine 0 C--N 1.364 2.106 0 N-CA-C 115.774 1.07 . . . . 19.74 115.774 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -79.43 143.5 34.95 Favored 'General case' 0 C--N 1.363 1.192 0 C-N-CA 120.457 -0.497 . . . . 21.93 110.306 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -116.61 127.16 54.21 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 109.425 -0.583 . . . . 12.33 109.425 178.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.3 mt -110.86 139.14 35.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 N-CA-C 108.894 -0.78 . . . . 17.08 108.894 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.36 131.1 52.08 Favored 'General case' 0 C--N 1.356 0.874 0 N-CA-C 109.089 -0.708 . . . . 16.3 109.089 178.116 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -127.08 144.46 51.02 Favored 'General case' 0 N--CA 1.481 1.084 0 O-C-N 123.429 0.456 . . . . 15.88 111.535 -179.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -98.01 121.17 39.61 Favored 'General case' 0 C--N 1.354 0.773 0 N-CA-C 106.456 -1.683 . . . . 28.9 106.456 175.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.35 166.34 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.325 0.491 . . . . 12.05 112.325 -176.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -115.98 148.42 41.32 Favored Pre-proline 0 N--CA 1.476 0.829 0 N-CA-C 107.848 -1.167 . . . . 18.17 107.848 176.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -58.47 -28.09 84.18 Favored 'Trans proline' 0 C--N 1.38 2.19 0 C-N-CA 121.777 1.651 . . . . 8.16 115.056 -178.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 22.2 p -82.39 0.01 43.92 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.115 0.783 . . . . 11.13 113.115 179.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 49.8 m-20 -72.66 143.86 47.96 Favored 'General case' 0 C--N 1.365 1.265 0 CA-C-N 118.674 0.67 . . . . 18.03 109.378 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.5 p -86.33 157.93 19.78 Favored 'General case' 0 C--O 1.239 0.531 0 O-C-N 123.769 0.668 . . . . 10.22 110.447 178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.71 -42.16 87.74 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 CA-C-N 116.232 -0.44 . . . . 12.3 110.22 178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -55.93 -37.14 68.54 Favored 'General case' 0 N--CA 1.499 2.008 0 C-N-CA 122.477 0.311 . . . . 36.51 110.265 176.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.0 t30 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.484 1.248 0 O-C-N 123.247 0.342 . . . . 25.66 110.458 178.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 98.0 t -62.48 -42.77 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 mttm -61.63 -39.55 91.71 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 119.559 -0.257 . . . . 15.47 110.435 177.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.87 91.36 Favored 'General case' 0 N--CA 1.487 1.39 0 O-C-N 122.965 0.166 . . . . 11.45 111.325 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.23 -38.42 90.34 Favored 'General case' 0 N--CA 1.485 1.295 0 O-C-N 123.298 0.374 . . . . 24.98 110.815 176.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.91 -41.31 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 CA-C-O 118.972 -0.537 . . . . 9.46 109.677 176.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -57.91 -42.86 85.61 Favored 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 122.976 0.51 . . . . 14.76 109.663 177.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.9 t0 -63.38 -42.04 98.83 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 123.776 0.672 . . . . 26.29 111.52 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 mttt -79.76 -42.71 23.94 Favored 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 113.5 0.926 . . . . 30.06 113.5 -177.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.22 -6.08 11.86 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 117.354 2.354 . . . . 25.19 117.354 -174.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.0 13.1 84.04 Favored Glycine 0 CA--C 1.537 1.462 0 N-CA-C 116.836 1.494 . . . . 7.41 116.836 177.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.55 121.9 73.42 Favored Pre-proline 0 CA--C 1.548 0.885 0 CA-C-O 118.236 -0.888 . . . . 9.49 108.64 179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.2 145.33 83.95 Favored 'Trans proline' 0 C--N 1.387 2.575 0 C-N-CA 122.046 1.831 . . . . 11.42 111.474 179.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.2 Cg_exo -58.66 -32.06 96.04 Favored 'Trans proline' 0 C--N 1.384 2.413 0 C-N-CA 122.421 2.081 . . . . 12.0 113.753 -178.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -69.06 -17.64 63.91 Favored 'General case' 0 N--CA 1.48 1.062 0 N-CA-C 113.206 0.817 . . . . 35.55 113.206 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 59.7 mt-30 -101.69 0.05 35.41 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 113.154 0.798 . . . . 20.52 113.154 178.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -104.0 133.99 48.02 Favored 'General case' 0 C--N 1.357 0.906 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -122.49 127.5 49.64 Favored 'General case' 0 C--N 1.356 0.854 0 N-CA-C 107.339 -1.356 . . . . 36.39 107.339 176.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.7 mt -109.84 131.55 54.96 Favored 'General case' 0 C--N 1.348 0.506 0 C-N-CA 123.099 0.56 . . . . 9.55 110.577 -179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.83 138.19 55.57 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 C-N-CA 123.569 0.748 . . . . 13.9 110.624 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 65.2 t80 -137.26 127.01 25.46 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.881 -1.155 . . . . 6.86 107.881 177.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.92 44.81 18.72 Favored 'General case' 0 CA--C 1.57 1.738 0 CA-C-N 118.848 0.749 . . . . 11.15 112.891 -179.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.26 0.39 66.1 Favored Glycine 0 CA--C 1.54 1.652 0 N-CA-C 116.601 1.401 . . . . 13.93 116.601 178.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.2 ptpp? -111.48 137.29 49.48 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-N 118.784 1.292 . . . . 23.92 112.328 -179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -78.14 129.97 35.8 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 108.075 -1.083 . . . . 23.23 108.075 177.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 24.4 mt -85.94 135.46 33.66 Favored 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.028 0.381 . . . . 9.11 112.028 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -89.27 142.71 27.42 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.318 0.386 . . . . 33.44 111.752 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.415 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.0 OUTLIER -61.56 -30.28 70.56 Favored 'General case' 0 N--CA 1.486 1.361 0 N-CA-C 113.837 1.051 . . . . 28.37 113.837 -178.286 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.85 -0.86 89.89 Favored Glycine 0 CA--C 1.544 1.853 0 CA-C-O 118.883 -0.954 . . . . 15.0 114.976 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 25.3 mmt85 -102.39 164.66 11.55 Favored 'General case' 0 N--CA 1.48 1.06 0 CA-C-N 118.223 1.011 . . . . 25.5 111.235 178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 64.7 p -105.45 165.03 11.42 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.143 0.496 . . . . 11.95 110.375 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.5 mt -59.62 -37.32 78.28 Favored 'General case' 0 N--CA 1.485 1.289 0 CA-C-N 114.957 -1.019 . . . . 10.17 112.517 178.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -67.4 -31.04 70.98 Favored 'General case' 0 C--N 1.365 1.259 0 CA-C-N 119.386 0.994 . . . . 13.59 111.632 179.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -61.41 -30.1 70.35 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 111.938 0.347 . . . . 11.7 111.938 178.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -98.7 9.9 42.32 Favored 'General case' 0 CA--C 1.557 1.231 0 N-CA-C 112.492 0.553 . . . . 12.95 112.492 178.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 19.7 m120 56.27 38.51 29.85 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 124.127 0.971 . . . . 25.45 112.874 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.5 mt -80.65 124.74 38.84 Favored 'Isoleucine or valine' 0 C--N 1.357 0.931 0 N-CA-C 107.757 -1.201 . . . . 14.6 107.757 177.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -114.62 172.59 6.94 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.165 0.986 . . . . 33.23 111.748 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 49.1 pttt -52.83 140.69 23.54 Favored 'General case' 0 N--CA 1.487 1.38 0 N-CA-C 113.07 0.767 . . . . 25.97 113.07 -178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 66.19 17.65 10.78 Favored 'General case' 0 CA--C 1.549 0.917 0 N-CA-C 114.851 1.426 . . . . 32.61 114.851 -179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.8 153.6 34.75 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 118.894 0.77 . . . . 10.56 109.148 176.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.6 m -112.78 123.16 49.69 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.358 0.663 . . . . 5.33 111.352 -179.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.17 154.98 19.93 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.81 -1.182 . . . . 11.66 107.81 176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.5 m80 -112.61 134.13 54.3 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 122.993 0.517 . . . . 16.3 110.489 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.1 tp -108.24 129.04 55.22 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 109.627 -0.508 . . . . 9.96 109.627 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.2 t -119.77 137.36 53.91 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 106.844 -1.539 . . . . 9.76 106.844 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 43.1 mt -102.51 136.58 42.08 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 122.841 0.457 . . . . 19.57 111.433 -179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.0 mtm180 -91.45 170.35 10.03 Favored 'General case' 0 N--CA 1.476 0.842 0 O-C-N 123.589 0.555 . . . . 35.08 110.993 179.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 15.9 tp -155.21 142.98 19.87 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 116.403 -0.362 . . . . 32.31 111.3 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.3 mmt85 -135.05 116.59 14.78 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.445 0.466 . . . . 42.75 110.6 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.79 -132.75 0.64 Allowed Glycine 0 C--N 1.352 1.467 0 O-C-N 123.559 0.537 . . . . 36.31 112.689 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.46 0 CA-C-O 118.357 -1.246 . . . . 36.2 112.87 179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.7 ptt? . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 111.42 0.156 . . . . 17.17 111.42 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -95.63 143.34 27.0 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 122.962 0.505 . . . . 21.89 110.453 179.587 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.1 pt -134.62 163.55 36.43 Favored 'Isoleucine or valine' 0 C--N 1.356 0.857 0 CA-C-N 115.426 -0.806 . . . . 10.83 109.432 178.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -123.27 139.11 54.38 Favored 'General case' 0 N--CA 1.479 1.019 0 CA-C-N 117.97 0.35 . . . . 10.61 111.36 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.3 t -119.97 124.39 72.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.596 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.6 mttm -103.25 136.17 43.52 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 122.628 0.371 . . . . 20.55 110.7 179.491 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.4 p -102.0 160.74 14.23 Favored 'General case' 0 C--N 1.361 1.108 0 O-C-N 123.534 0.521 . . . . 11.78 111.462 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 40.1 mt -63.74 -11.23 24.56 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 115.153 1.538 . . . . 19.31 115.153 -179.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.1 p -99.09 -11.52 21.37 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.154 0.798 . . . . 23.14 113.154 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.8 16.85 7.74 Favored Glycine 0 C--N 1.356 1.66 0 N-CA-C 115.817 1.087 . . . . 19.74 115.817 178.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.1 tttp -101.69 136.06 42.16 Favored 'General case' 0 C--N 1.368 1.381 0 N-CA-C 113.124 0.787 . . . . 21.93 113.124 -177.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 18.7 m -114.52 123.15 48.66 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 108.178 -1.045 . . . . 12.33 108.178 178.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.07 138.47 34.48 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 108.827 -0.805 . . . . 17.08 108.827 179.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.2 m -102.04 130.37 48.6 Favored 'General case' 0 C--N 1.353 0.74 0 N-CA-C 108.438 -0.949 . . . . 16.3 108.438 177.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mp -125.08 140.55 52.79 Favored 'General case' 0 N--CA 1.476 0.84 0 O-C-N 123.527 0.517 . . . . 15.88 110.498 -178.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.92 120.48 37.33 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 105.773 -1.936 . . . . 28.9 105.773 175.088 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.8 m -139.51 166.75 20.76 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 N-CA-C 112.241 0.46 . . . . 12.05 112.241 -176.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -116.37 147.52 39.74 Favored Pre-proline 0 CA--C 1.542 0.645 0 N-CA-C 107.451 -1.315 . . . . 18.17 107.451 175.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 32.7 Cg_exo -57.18 -27.36 74.26 Favored 'Trans proline' 0 C--N 1.379 2.141 0 C-N-CA 121.772 1.648 . . . . 8.16 115.012 -178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.7 p -82.52 -0.2 45.52 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 113.158 0.799 . . . . 11.13 113.158 179.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.62 144.02 47.98 Favored 'General case' 0 C--N 1.364 1.217 0 CA-C-N 118.858 0.753 . . . . 18.03 109.396 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.4 p -86.72 157.68 19.59 Favored 'General case' 0 C--N 1.349 0.56 0 CA-C-N 115.71 -0.677 . . . . 10.22 110.571 178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.41 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.89 -42.25 88.61 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.347 -0.388 . . . . 12.3 110.328 178.115 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -55.66 -37.4 68.23 Favored 'General case' 0 N--CA 1.499 1.987 0 N-CA-C 110.147 -0.316 . . . . 36.51 110.147 176.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.4 t30 -68.94 -39.58 79.49 Favored 'General case' 0 N--CA 1.485 1.316 0 O-C-N 123.225 0.328 . . . . 25.66 110.365 178.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.408 HG21 HD21 ' A' ' 56' ' ' LEU . 96.0 t -62.41 -42.89 97.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 109.611 -0.515 . . . . 8.12 109.611 176.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -61.13 -40.15 92.73 Favored 'General case' 0 N--CA 1.486 1.351 0 CA-C-O 119.594 -0.241 . . . . 15.47 110.397 177.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.37 -39.2 92.41 Favored 'General case' 0 N--CA 1.488 1.433 0 CA-C-N 117.534 0.152 . . . . 11.45 111.37 179.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.6 mttm -65.05 -38.73 91.8 Favored 'General case' 0 N--CA 1.488 1.46 0 C-N-CA 122.668 0.387 . . . . 24.98 110.844 176.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.9 mt -66.85 -41.21 87.39 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 CA-C-O 119.036 -0.507 . . . . 9.46 109.701 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.1 tt0 -57.91 -43.14 86.01 Favored 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 109.57 -0.53 . . . . 14.76 109.57 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -63.34 -41.94 98.92 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 123.663 0.602 . . . . 26.29 111.638 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.3 mttt -79.74 -42.67 24.07 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.534 0.939 . . . . 30.06 113.534 -177.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -116.09 -5.88 11.93 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 117.375 2.361 . . . . 25.19 117.375 -174.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.13 12.53 84.53 Favored Glycine 0 CA--C 1.536 1.359 0 N-CA-C 116.821 1.489 . . . . 7.41 116.821 177.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.4 mt -85.42 121.99 73.6 Favored Pre-proline 0 CA--C 1.549 0.923 0 CA-C-O 118.257 -0.877 . . . . 9.49 108.711 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -65.37 145.51 83.39 Favored 'Trans proline' 0 C--N 1.386 2.525 0 C-N-CA 122.087 1.858 . . . . 11.42 111.442 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_exo -58.2 -32.78 96.58 Favored 'Trans proline' 0 C--N 1.384 2.43 0 C-N-CA 122.568 2.178 . . . . 12.0 113.884 -178.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -69.26 -17.14 63.72 Favored 'General case' 0 N--CA 1.481 1.122 0 N-CA-C 113.066 0.765 . . . . 35.55 113.066 -179.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -101.33 -0.65 35.21 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.118 0.784 . . . . 20.52 113.118 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 58.6 mt-30 -103.64 134.58 46.75 Favored 'General case' 0 C--N 1.357 0.922 0 N-CA-C 113.724 1.009 . . . . 7.13 113.724 -177.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.0 mtt180 -122.97 127.55 49.01 Favored 'General case' 0 C--N 1.357 0.9 0 N-CA-C 107.403 -1.332 . . . . 36.39 107.403 176.155 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 86.3 mt -109.26 131.26 55.24 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 123.123 0.569 . . . . 9.55 110.345 -179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.1 mt -126.34 135.35 64.04 Favored 'Isoleucine or valine' 0 C--N 1.351 0.652 0 CA-C-N 115.704 -0.68 . . . . 13.9 110.703 -177.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -135.68 125.64 25.9 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 108.336 -0.987 . . . . 6.86 108.336 178.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.55 46.46 20.95 Favored 'General case' 0 N--CA 1.49 1.539 0 CA-C-O 121.357 0.599 . . . . 11.15 112.439 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.59 2.88 61.31 Favored Glycine 0 C--N 1.357 1.733 0 N-CA-C 116.234 1.254 . . . . 13.93 116.234 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -111.7 136.18 51.29 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 118.53 1.165 . . . . 23.92 112.176 -178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -78.01 128.83 34.48 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.057 -1.09 . . . . 23.23 108.057 177.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.3 mt -85.74 135.63 33.67 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 111.875 0.324 . . . . 9.11 111.875 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -89.79 142.78 27.37 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 123.313 0.383 . . . . 33.44 111.789 -179.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 5.7 m-20 -61.34 -31.07 70.94 Favored 'General case' 0 N--CA 1.487 1.414 0 N-CA-C 113.965 1.098 . . . . 28.37 113.965 -178.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.16 -1.03 90.51 Favored Glycine 0 CA--C 1.542 1.73 0 CA-C-O 118.945 -0.919 . . . . 15.0 114.987 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -103.15 165.21 11.16 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 118.263 1.032 . . . . 25.5 111.122 178.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.6 p -105.97 165.56 11.12 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 121.189 0.518 . . . . 11.95 110.631 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.408 HD21 HG21 ' A' ' 26' ' ' VAL . 93.4 mt -59.44 -37.25 77.63 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-N 114.975 -1.011 . . . . 10.17 112.676 178.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 95.2 p -67.47 -30.44 70.14 Favored 'General case' 0 C--N 1.363 1.183 0 CA-C-N 119.419 1.009 . . . . 13.59 112.057 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 61.6 m-20 -61.43 -29.88 70.23 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 111.995 0.368 . . . . 11.7 111.995 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -98.2 9.71 42.3 Favored 'General case' 0 CA--C 1.555 1.17 0 N-CA-C 112.484 0.55 . . . . 12.95 112.484 178.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 61.7 m-80 56.13 38.77 30.21 Favored 'General case' 0 C--N 1.367 1.336 0 C-N-CA 124.119 0.968 . . . . 25.45 112.718 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.3 mt -80.66 124.46 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 N-CA-C 107.833 -1.173 . . . . 14.6 107.833 177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -114.28 172.37 7.05 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.176 0.99 . . . . 33.23 111.705 -177.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.3 pttt -52.71 140.62 23.17 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 112.96 0.726 . . . . 25.97 112.96 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 66.24 17.66 10.77 Favored 'General case' 0 CA--C 1.55 0.98 0 N-CA-C 114.758 1.392 . . . . 32.61 114.758 -179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.3 m -76.53 153.07 35.78 Favored 'General case' 0 N--CA 1.478 0.931 0 CA-C-N 118.892 0.769 . . . . 10.56 109.028 175.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.15 123.3 49.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.318 0.647 . . . . 5.33 111.346 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.29 155.0 19.95 Favored 'General case' 0 C--N 1.354 0.796 0 N-CA-C 107.767 -1.197 . . . . 11.66 107.767 176.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.37 133.92 54.19 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 122.795 0.438 . . . . 16.3 110.511 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.5 tp -108.22 129.18 55.2 Favored 'General case' 0 C--N 1.353 0.739 0 N-CA-C 109.582 -0.525 . . . . 9.96 109.582 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.18 137.86 52.63 Favored 'Isoleucine or valine' 0 C--N 1.36 1.03 0 N-CA-C 107.154 -1.424 . . . . 9.76 107.154 178.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.8 mt -101.82 131.08 48.35 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 122.805 0.442 . . . . 19.57 111.46 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -94.11 112.29 24.09 Favored 'General case' 0 C--N 1.354 0.775 0 O-C-N 123.516 0.51 . . . . 35.08 110.373 179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 62.9 mt -120.01 137.97 53.78 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 122.938 0.495 . . . . 32.31 110.856 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 40.4 mtp180 -85.62 147.5 26.36 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.43 0.456 . . . . 42.75 110.664 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -77.58 -149.8 3.87 Favored Glycine 0 C--N 1.353 1.489 0 O-C-N 123.611 0.569 . . . . 36.31 112.504 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.412 0 CA-C-O 118.375 -1.236 . . . . 36.2 112.566 179.823 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.0 ptt? . . . . . 0 N--CA 1.487 1.42 0 N-CA-C 111.39 0.144 . . . . 17.17 111.39 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -95.07 142.97 26.91 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.966 0.506 . . . . 21.89 110.458 179.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 23.9 pt -134.15 163.39 37.2 Favored 'Isoleucine or valine' 0 C--N 1.357 0.909 0 CA-C-N 115.407 -0.815 . . . . 10.83 109.334 178.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -123.62 138.98 54.44 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 119.373 -0.346 . . . . 10.61 111.375 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.9 t -120.01 125.02 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.406 0 N-CA-C 108.532 -0.914 . . . . 9.13 108.532 178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 mtmt -103.53 134.58 46.65 Favored 'General case' 0 C--N 1.357 0.902 0 O-C-N 123.42 0.45 . . . . 20.55 110.054 179.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.5 p -100.33 162.05 13.2 Favored 'General case' 0 N--CA 1.478 0.962 0 O-C-N 123.367 0.417 . . . . 11.78 111.137 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -59.02 -13.69 7.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 114.538 1.31 . . . . 19.31 114.538 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.4 p -93.93 -7.64 42.43 Favored 'General case' 0 C--N 1.363 1.159 0 C-N-CA 122.937 0.495 . . . . 23.14 112.177 177.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 97.91 6.81 56.9 Favored Glycine 0 C--N 1.369 2.367 0 N-CA-C 115.41 0.924 . . . . 19.74 115.41 178.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.2 tttt -81.93 142.84 32.09 Favored 'General case' 0 C--N 1.367 1.351 0 O-C-N 124.105 0.532 . . . . 21.93 110.014 178.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.6 m -116.87 125.9 52.22 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 109.33 -0.618 . . . . 12.33 109.33 178.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -109.21 139.08 33.49 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 N-CA-C 108.75 -0.833 . . . . 17.08 108.75 178.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 4.9 m -103.96 131.02 51.62 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 108.849 -0.797 . . . . 16.3 108.849 178.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 42.6 mt -127.09 143.76 51.2 Favored 'General case' 0 N--CA 1.481 1.078 0 O-C-N 123.499 0.499 . . . . 15.88 111.3 -179.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.68 120.91 38.9 Favored 'General case' 0 C--N 1.353 0.759 0 N-CA-C 106.392 -1.707 . . . . 28.9 106.392 175.751 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.4 m -139.19 166.98 20.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 112.247 0.462 . . . . 12.05 112.247 -176.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -116.51 147.73 40.32 Favored Pre-proline 0 N--CA 1.474 0.732 0 N-CA-C 107.558 -1.275 . . . . 18.17 107.558 176.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_exo -57.53 -27.84 78.35 Favored 'Trans proline' 0 C--N 1.38 2.22 0 C-N-CA 121.764 1.643 . . . . 8.16 115.063 -178.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.68 -0.03 45.44 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 113.175 0.806 . . . . 11.13 113.175 179.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -72.64 144.02 47.95 Favored 'General case' 0 C--N 1.365 1.272 0 N-CA-C 109.111 -0.7 . . . . 18.03 109.111 178.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.1 p -86.61 157.94 19.59 Favored 'General case' 0 C--N 1.348 0.539 0 O-C-N 123.859 0.724 . . . . 10.22 110.42 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.402 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.0 mm -59.84 -42.15 88.11 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 CA-C-N 116.308 -0.405 . . . . 12.3 110.168 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -55.94 -37.66 69.29 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 122.389 0.276 . . . . 36.51 110.417 176.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t30 -69.1 -40.54 78.32 Favored 'General case' 0 N--CA 1.487 1.375 0 O-C-N 123.272 0.357 . . . . 25.66 110.453 178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG21 HD21 ' A' ' 56' ' ' LEU . 95.9 t -61.68 -42.0 92.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 N-CA-C 109.513 -0.551 . . . . 8.12 109.513 176.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -61.71 -39.74 92.56 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-O 119.512 -0.28 . . . . 15.47 110.385 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.68 -39.23 93.31 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 111.457 0.169 . . . . 11.45 111.457 179.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.3 mttm -65.12 -38.74 91.61 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 122.679 0.391 . . . . 24.98 110.681 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 66.5 mt -67.2 -41.3 86.64 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.221 0 CA-C-O 119.001 -0.523 . . . . 9.46 109.642 176.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.2 tt0 -57.82 -42.91 85.29 Favored 'General case' 0 N--CA 1.505 2.299 0 N-CA-C 109.532 -0.544 . . . . 14.76 109.532 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.4 t0 -62.74 -41.76 99.34 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 123.793 0.683 . . . . 26.29 111.513 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -79.88 -42.4 24.26 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 113.801 1.038 . . . . 30.06 113.801 -177.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.81 -6.37 11.52 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -173.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.88 12.94 84.13 Favored Glycine 0 CA--C 1.538 1.53 0 N-CA-C 117.03 1.572 . . . . 7.41 117.03 177.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.4 mt -85.13 122.76 73.98 Favored Pre-proline 0 N--CA 1.478 0.948 0 CA-C-O 118.311 -0.852 . . . . 9.49 109.072 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.5 143.92 71.02 Favored 'Trans proline' 0 C--N 1.386 2.547 0 C-N-CA 122.026 1.817 . . . . 11.42 111.315 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_exo -58.59 -31.57 94.84 Favored 'Trans proline' 0 C--N 1.383 2.362 0 C-N-CA 122.528 2.152 . . . . 12.0 114.19 -178.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -69.14 -18.83 64.0 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 113.285 0.846 . . . . 35.55 113.285 -178.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.2 mt-30 -100.0 0.64 41.41 Favored 'General case' 0 CA--C 1.552 1.048 0 N-CA-C 112.855 0.687 . . . . 20.52 112.855 178.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -104.69 134.7 47.4 Favored 'General case' 0 C--N 1.355 0.846 0 N-CA-C 114.312 1.227 . . . . 7.13 114.312 -176.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.4 mtt180 -122.85 127.39 48.96 Favored 'General case' 0 C--N 1.357 0.902 0 N-CA-C 107.277 -1.379 . . . . 36.39 107.277 175.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 92.5 mt -109.7 131.43 55.07 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.022 0.529 . . . . 9.55 110.622 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.81 138.1 55.81 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.735 0 C-N-CA 123.495 0.718 . . . . 13.9 110.709 -178.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -137.31 126.99 25.34 Favored 'General case' 0 N--CA 1.473 0.683 0 N-CA-C 107.916 -1.142 . . . . 6.86 107.916 177.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 47.93 44.48 18.48 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 119.026 0.83 . . . . 11.15 112.8 -179.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 75.9 0.83 65.68 Favored Glycine 0 CA--C 1.542 1.721 0 N-CA-C 116.665 1.426 . . . . 13.93 116.665 178.169 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 5.6 ptpp? -111.73 137.21 49.94 Favored 'General case' 0 N--CA 1.489 1.485 0 CA-C-N 118.695 1.248 . . . . 23.92 112.18 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.13 130.2 36.09 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 108.236 -1.024 . . . . 23.23 108.236 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.403 HD22 ' CD2' ' A' ' 59' ' ' TYR . 25.0 mt -86.14 135.45 33.59 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.682 0.393 . . . . 9.11 111.944 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.37 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.055 0 O-C-N 123.39 0.431 . . . . 33.44 111.791 -179.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.402 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.61 -29.43 70.04 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 114.023 1.119 . . . . 28.37 114.023 -178.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.8 -0.4 89.14 Favored Glycine 0 CA--C 1.542 1.722 0 CA-C-O 118.848 -0.973 . . . . 15.0 114.936 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -102.81 164.76 11.44 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.31 1.055 . . . . 25.5 111.129 178.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 73.1 p -105.3 165.34 11.18 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-O 121.213 0.53 . . . . 11.95 110.428 179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.4 HD21 HG21 ' A' ' 26' ' ' VAL . 94.7 mt -59.48 -37.25 77.76 Favored 'General case' 0 N--CA 1.483 1.181 0 CA-C-N 114.985 -1.007 . . . . 10.17 112.518 178.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 93.4 p -67.67 -30.49 70.04 Favored 'General case' 0 C--N 1.365 1.239 0 CA-C-N 119.44 1.018 . . . . 13.59 112.149 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -61.59 -30.46 70.69 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 111.986 0.365 . . . . 11.7 111.986 178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.403 ' CD2' HD22 ' A' ' 50' ' ' LEU . 68.6 m-85 -98.47 9.61 42.76 Favored 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.044 0.538 . . . . 12.95 112.399 178.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.4 m120 56.13 38.66 30.09 Favored 'General case' 0 C--N 1.364 1.235 0 C-N-CA 124.107 0.963 . . . . 25.45 112.809 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.64 124.35 38.39 Favored 'Isoleucine or valine' 0 C--N 1.357 0.898 0 N-CA-C 107.634 -1.247 . . . . 14.6 107.634 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 98.6 mm-40 -114.4 172.7 6.86 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.19 0.996 . . . . 33.23 111.839 -177.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -52.86 140.79 23.37 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 113.09 0.774 . . . . 25.97 113.09 -178.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 66.21 17.59 10.76 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.961 1.467 . . . . 32.61 114.961 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.8 m -76.67 153.19 35.39 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-N 118.849 0.75 . . . . 10.56 109.128 176.106 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 15.9 m -112.23 123.17 49.68 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.359 0.663 . . . . 5.33 111.196 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.15 155.12 19.76 Favored 'General case' 0 C--N 1.354 0.804 0 N-CA-C 107.777 -1.194 . . . . 11.66 107.777 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -112.9 133.98 54.63 Favored 'General case' 0 C--N 1.352 0.681 0 C-N-CA 123.011 0.524 . . . . 16.3 110.522 179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 53.8 tp -108.23 129.76 55.18 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 123.536 0.522 . . . . 9.96 109.792 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.4 t -119.36 139.18 47.57 Favored 'Isoleucine or valine' 0 C--N 1.362 1.13 0 N-CA-C 107.146 -1.427 . . . . 9.76 107.146 178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -104.15 136.91 42.89 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 122.772 0.429 . . . . 19.57 111.317 -179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 37.2 mtm180 -92.18 170.1 10.08 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 123.536 0.522 . . . . 35.08 110.85 179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 16.2 tp -155.41 136.79 14.04 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 123.349 0.405 . . . . 32.31 111.213 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -133.59 153.23 51.82 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 122.849 0.46 . . . . 42.75 110.842 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 162.94 -164.56 35.97 Favored Glycine 0 C--N 1.352 1.467 0 O-C-N 123.665 0.603 . . . . 36.31 113.101 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.454 0 CA-C-O 118.457 -1.191 . . . . 36.2 112.619 -179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.3 ptt? . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 111.283 0.105 . . . . 17.17 111.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -95.68 143.09 27.24 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 123.551 0.532 . . . . 21.89 110.357 179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.1 pt -134.74 163.25 37.12 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 CA-C-N 115.387 -0.824 . . . . 10.83 109.38 178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -122.86 138.45 54.65 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-O 119.255 -0.402 . . . . 10.61 111.217 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.1 t -119.52 124.72 73.45 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 N-CA-C 108.332 -0.988 . . . . 9.13 108.332 178.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -102.97 133.56 47.88 Favored 'General case' 0 C--N 1.355 0.834 0 O-C-N 123.316 0.385 . . . . 20.55 110.073 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 24.1 p -99.47 161.98 13.3 Favored 'General case' 0 C--N 1.356 0.868 0 O-C-N 123.605 0.566 . . . . 11.78 110.657 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.5 mt -47.6 -52.76 16.77 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 123.82 0.7 . . . . 19.31 112.116 179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.7 p -62.48 -7.86 5.26 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 115.252 1.575 . . . . 23.14 115.252 -178.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 100.88 4.9 54.17 Favored Glycine 0 C--N 1.364 2.112 0 N-CA-C 115.69 1.036 . . . . 19.74 115.69 178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -79.37 143.52 35.03 Favored 'General case' 0 C--N 1.363 1.169 0 C-N-CA 120.429 -0.508 . . . . 21.93 110.358 178.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 21.0 m -116.85 127.22 54.08 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 109.338 -0.616 . . . . 12.33 109.338 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.5 mt -110.85 139.27 35.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.861 0 N-CA-C 108.865 -0.791 . . . . 17.08 108.865 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -104.33 131.07 52.06 Favored 'General case' 0 C--N 1.355 0.813 0 N-CA-C 108.97 -0.752 . . . . 16.3 108.97 178.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.2 mt -127.08 144.31 51.06 Favored 'General case' 0 N--CA 1.481 1.116 0 O-C-N 123.303 0.377 . . . . 15.88 111.527 -179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.06 120.92 39.3 Favored 'General case' 0 C--N 1.353 0.736 0 N-CA-C 106.516 -1.661 . . . . 28.9 106.516 175.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.29 166.45 21.63 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 112.41 0.522 . . . . 12.05 112.41 -176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -116.12 148.62 41.86 Favored Pre-proline 0 N--CA 1.474 0.763 0 N-CA-C 107.786 -1.191 . . . . 18.17 107.786 176.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -58.61 -28.14 85.05 Favored 'Trans proline' 0 C--N 1.379 2.152 0 C-N-CA 121.848 1.699 . . . . 8.16 114.99 -178.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.3 p -82.42 0.02 44.01 Favored 'General case' 0 CA--C 1.549 0.907 0 N-CA-C 113.136 0.791 . . . . 11.13 113.136 179.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -72.74 143.89 47.83 Favored 'General case' 0 C--N 1.364 1.2 0 CA-C-N 118.77 0.714 . . . . 18.03 109.301 178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.6 p -86.44 158.04 19.68 Favored 'General case' 0 C--N 1.349 0.561 0 CA-C-N 115.73 -0.668 . . . . 10.22 110.499 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.64 -42.03 87.06 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 CA-C-N 116.185 -0.461 . . . . 12.3 110.338 178.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -56.09 -37.12 68.93 Favored 'General case' 0 N--CA 1.498 1.962 0 C-N-CA 122.415 0.286 . . . . 36.51 110.356 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t30 -69.34 -39.98 77.81 Favored 'General case' 0 N--CA 1.484 1.268 0 O-C-N 123.246 0.341 . . . . 25.66 110.51 178.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.415 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.67 -42.66 96.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 N-CA-C 109.545 -0.539 . . . . 8.12 109.545 176.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -61.46 -39.57 91.37 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-O 119.581 -0.247 . . . . 15.47 110.383 177.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.07 92.2 Favored 'General case' 0 N--CA 1.488 1.428 0 O-C-N 122.983 0.177 . . . . 11.45 111.225 179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 48.4 mttm -64.97 -38.64 91.64 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.669 0.388 . . . . 24.98 110.86 176.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.7 mt -66.92 -41.29 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.183 0 CA-C-O 118.929 -0.557 . . . . 9.46 109.637 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -58.1 -42.7 86.25 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 109.705 -0.48 . . . . 14.76 109.705 177.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -63.61 -41.82 98.27 Favored 'General case' 0 N--CA 1.492 1.652 0 CA-C-N 115.897 -0.592 . . . . 26.29 111.468 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.75 -42.7 23.98 Favored 'General case' 0 N--CA 1.482 1.157 0 N-CA-C 113.622 0.971 . . . . 30.06 113.622 -178.089 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -116.1 -5.9 11.92 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.394 2.368 . . . . 25.19 117.394 -174.165 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.4 12.53 84.47 Favored Glycine 0 CA--C 1.536 1.374 0 N-CA-C 116.81 1.484 . . . . 7.41 116.81 177.324 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.43 122.06 73.58 Favored Pre-proline 0 CA--C 1.548 0.887 0 CA-C-O 118.051 -0.976 . . . . 9.49 108.697 179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_exo -65.42 145.36 82.75 Favored 'Trans proline' 0 C--N 1.385 2.47 0 C-N-CA 122.113 1.875 . . . . 11.42 111.459 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -58.41 -32.29 95.93 Favored 'Trans proline' 0 C--N 1.386 2.503 0 C-N-CA 122.429 2.086 . . . . 12.0 113.836 -178.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -68.86 -17.71 64.03 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 113.162 0.801 . . . . 35.55 113.162 -179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -101.83 0.11 35.09 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.12 0.785 . . . . 20.52 113.12 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -104.29 133.95 48.33 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.521 0.934 . . . . 7.13 113.521 -177.056 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 78.9 mtt180 -122.54 127.62 49.73 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 107.501 -1.296 . . . . 36.39 107.501 176.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.3 mt -108.83 131.09 55.32 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.135 0.574 . . . . 9.55 110.201 -179.086 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.0 mm -123.94 133.27 69.73 Favored 'Isoleucine or valine' 0 C--N 1.352 0.684 0 CA-C-N 115.431 -0.804 . . . . 13.9 110.501 -177.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -135.13 124.4 24.62 Favored 'General case' 0 C--N 1.348 0.516 0 N-CA-C 108.068 -1.086 . . . . 6.86 108.068 177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.83 46.38 21.91 Favored 'General case' 0 N--CA 1.486 1.372 0 CA-C-O 121.381 0.61 . . . . 11.15 112.436 -179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.27 2.94 64.08 Favored Glycine 0 C--N 1.359 1.806 0 N-CA-C 116.253 1.261 . . . . 13.93 116.253 178.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.0 mttt -111.86 136.16 51.52 Favored 'General case' 0 N--CA 1.485 1.323 0 CA-C-N 118.298 1.049 . . . . 23.92 112.545 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 36.6 mt-30 -77.64 129.45 35.6 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 108.145 -1.057 . . . . 23.23 108.145 177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.9 mt -86.22 135.7 33.47 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 111.779 0.289 . . . . 9.11 111.779 -179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -89.21 142.39 27.69 Favored 'General case' 0 N--CA 1.478 0.968 0 O-C-N 123.362 0.414 . . . . 33.44 111.727 -179.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.49 -28.29 69.19 Favored 'General case' 0 N--CA 1.486 1.356 0 N-CA-C 113.988 1.107 . . . . 28.37 113.988 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.55 -0.85 87.95 Favored Glycine 0 CA--C 1.544 1.845 0 CA-C-O 118.928 -0.929 . . . . 15.0 114.938 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 24.7 mmt85 -102.84 165.2 11.18 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.195 0.998 . . . . 25.5 111.233 178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 68.9 p -105.84 165.13 11.41 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-O 121.174 0.512 . . . . 11.95 110.628 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD21 HG21 ' A' ' 26' ' ' VAL . 95.0 mt -59.51 -36.97 77.1 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.936 -1.029 . . . . 10.17 112.63 178.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.7 t -67.27 -30.89 70.89 Favored 'General case' 0 C--N 1.364 1.235 0 CA-C-N 119.285 0.948 . . . . 13.59 111.657 178.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -61.11 -30.39 70.33 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 111.94 0.348 . . . . 11.7 111.94 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -98.0 10.22 40.88 Favored 'General case' 0 CA--C 1.555 1.14 0 N-CA-C 112.625 0.602 . . . . 12.95 112.625 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 26.0 m120 56.19 38.44 29.83 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 124.097 0.959 . . . . 25.45 112.642 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 77.4 mt -80.73 124.49 38.61 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.92 -1.141 . . . . 14.6 107.92 177.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -113.98 172.67 6.85 Favored 'General case' 0 C--N 1.351 0.637 0 C-N-CA 124.182 0.993 . . . . 33.23 111.669 -178.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.1 pttt -52.91 140.52 24.36 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 112.919 0.711 . . . . 25.97 112.919 -179.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 66.29 17.65 10.75 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.71 1.374 . . . . 32.61 114.71 -179.551 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.83 153.73 34.57 Favored 'General case' 0 N--CA 1.478 0.941 0 O-C-N 121.468 -0.77 . . . . 10.56 109.147 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.5 m -112.75 123.12 49.59 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 123.341 0.656 . . . . 5.33 111.346 -179.012 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.24 155.0 19.93 Favored 'General case' 0 C--N 1.354 0.774 0 N-CA-C 107.724 -1.213 . . . . 11.66 107.724 176.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.1 134.12 53.84 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 122.816 0.446 . . . . 16.3 110.561 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.8 tp -107.71 128.94 55.02 Favored 'General case' 0 N--CA 1.473 0.706 0 N-CA-C 109.521 -0.548 . . . . 9.96 109.521 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.2 t -119.47 135.14 60.8 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 106.513 -1.662 . . . . 9.76 106.513 178.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 42.1 mt -100.63 133.03 45.69 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.761 0.425 . . . . 19.57 111.426 -179.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 44.7 ttt-85 -99.26 121.62 41.31 Favored 'General case' 0 C--N 1.355 0.84 0 C-N-CA 123.113 0.565 . . . . 35.08 110.183 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.3 mt -120.85 140.09 52.25 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 122.839 0.455 . . . . 32.31 110.997 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 22.9 mmt85 -91.05 168.83 11.36 Favored 'General case' 0 N--CA 1.475 0.782 0 O-C-N 123.417 0.448 . . . . 42.75 111.113 179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -162.04 138.81 5.6 Favored Glycine 0 C--N 1.353 1.474 0 CA-C-O 119.577 -0.569 . . . . 36.31 112.993 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.371 0 CA-C-O 118.362 -1.243 . . . . 36.2 112.59 179.861 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.488 1.442 0 N-CA-C 111.502 0.186 . . . . 17.17 111.502 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 -95.34 142.47 27.7 Favored 'General case' 0 C--N 1.35 0.604 0 C-N-CA 122.946 0.498 . . . . 21.89 110.505 179.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.0 pt -133.66 163.35 37.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.87 0 CA-C-N 115.449 -0.796 . . . . 10.83 109.321 178.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.85 139.36 54.05 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-O 119.324 -0.37 . . . . 10.61 111.47 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.24 125.15 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.504 -0.925 . . . . 9.13 108.504 178.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.34 135.68 44.52 Favored 'General case' 0 C--N 1.357 0.92 0 C-N-CA 122.908 0.483 . . . . 20.55 110.444 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.65 160.54 14.37 Favored 'General case' 0 C--N 1.359 1.017 0 O-C-N 123.401 0.438 . . . . 11.78 111.426 -179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.5 mt -63.35 -11.19 20.54 Favored 'General case' 0 N--CA 1.494 1.747 0 N-CA-C 115.102 1.519 . . . . 19.31 115.102 -179.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.9 p -98.62 -11.19 22.34 Favored 'General case' 0 C--N 1.363 1.189 0 N-CA-C 113.092 0.775 . . . . 23.14 113.092 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.07 15.9 9.54 Favored Glycine 0 C--N 1.358 1.802 0 N-CA-C 115.837 1.095 . . . . 19.74 115.837 178.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 71.7 tttt -100.0 137.25 38.71 Favored 'General case' 0 C--N 1.368 1.386 0 O-C-N 124.614 0.832 . . . . 21.93 112.881 -177.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.3 m -115.34 123.34 48.47 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 108.409 -0.96 . . . . 12.33 108.409 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.3 mt -107.93 138.63 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 N-CA-C 108.499 -0.926 . . . . 17.08 108.499 178.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.74 130.69 51.28 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 108.781 -0.822 . . . . 16.3 108.781 178.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.7 mt -127.04 143.66 51.23 Favored 'General case' 0 N--CA 1.478 0.966 0 O-C-N 123.512 0.507 . . . . 15.88 111.378 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -97.47 120.97 38.81 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 106.297 -1.742 . . . . 28.9 106.297 175.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.2 m -139.4 166.79 20.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.046 0.387 . . . . 12.05 112.046 -176.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -116.47 146.4 37.38 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.436 -1.32 . . . . 18.17 107.436 175.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.03 -27.52 64.76 Favored 'Trans proline' 0 C--N 1.381 2.245 0 C-N-CA 121.782 1.655 . . . . 8.16 115.04 -178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.8 p -82.4 -0.08 44.41 Favored 'General case' 0 CA--C 1.547 0.851 0 N-CA-C 112.968 0.729 . . . . 11.13 112.968 178.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -72.54 143.37 48.34 Favored 'General case' 0 C--N 1.364 1.229 0 CA-C-N 118.905 0.775 . . . . 18.03 109.225 178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.2 p -86.41 157.62 19.79 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.789 0.68 . . . . 10.22 110.453 178.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.59 -42.37 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-N 116.258 -0.428 . . . . 12.3 110.277 178.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -55.79 -37.41 68.56 Favored 'General case' 0 N--CA 1.501 2.081 0 C-N-CA 122.374 0.27 . . . . 36.51 110.413 176.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -68.94 -39.91 79.3 Favored 'General case' 0 N--CA 1.487 1.394 0 O-C-N 123.179 0.3 . . . . 25.66 110.456 178.594 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 97.7 t -62.37 -42.6 96.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.219 0 N-CA-C 109.7 -0.481 . . . . 8.12 109.7 176.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.64 -39.72 92.34 Favored 'General case' 0 N--CA 1.486 1.329 0 CA-C-O 119.592 -0.242 . . . . 15.47 110.496 177.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.08 92.28 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.003 0.189 . . . . 11.45 111.216 179.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -65.08 -38.63 91.39 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 122.747 0.419 . . . . 24.98 110.772 176.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 78.0 mt -66.78 -41.4 87.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 N-CA-C 109.689 -0.486 . . . . 9.46 109.689 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.93 -43.18 86.14 Favored 'General case' 0 N--CA 1.504 2.272 0 C-N-CA 122.993 0.517 . . . . 14.76 109.606 177.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -63.46 -41.94 98.63 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 115.725 -0.671 . . . . 26.29 111.501 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.0 mttm -79.69 -42.55 24.47 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 113.523 0.934 . . . . 30.06 113.523 -178.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -116.32 -5.82 11.8 Favored 'General case' 0 N--CA 1.488 1.432 0 N-CA-C 117.335 2.346 . . . . 25.19 117.335 -174.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.2 12.59 84.47 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.896 1.518 . . . . 7.41 116.896 177.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.57 122.08 73.37 Favored Pre-proline 0 CA--C 1.548 0.881 0 CA-C-O 118.302 -0.856 . . . . 9.49 108.968 179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.45 144.95 81.51 Favored 'Trans proline' 0 C--N 1.386 2.515 0 C-N-CA 122.032 1.822 . . . . 11.42 111.529 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -58.26 -31.71 94.25 Favored 'Trans proline' 0 C--N 1.384 2.44 0 C-N-CA 122.437 2.092 . . . . 12.0 113.878 -178.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -69.49 -18.22 63.68 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 112.977 0.732 . . . . 35.55 112.977 -178.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -100.94 -0.5 36.58 Favored 'General case' 0 CA--C 1.555 1.15 0 N-CA-C 112.974 0.731 . . . . 20.52 112.974 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.7 mt-30 -103.42 134.3 47.02 Favored 'General case' 0 C--N 1.357 0.919 0 N-CA-C 113.666 0.987 . . . . 7.13 113.666 -177.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -122.76 127.46 49.19 Favored 'General case' 0 C--N 1.355 0.842 0 N-CA-C 107.264 -1.384 . . . . 36.39 107.264 176.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.8 mt -109.92 131.65 54.87 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 123.108 0.563 . . . . 9.55 110.734 -178.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.7 mp -126.16 137.34 58.05 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.832 0 O-C-N 123.846 0.716 . . . . 13.9 110.871 -178.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -136.2 125.7 25.16 Favored 'General case' 0 C--N 1.352 0.685 0 N-CA-C 108.101 -1.074 . . . . 6.86 108.101 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.73 46.55 21.53 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.579 0.585 . . . . 11.15 112.579 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.9 2.68 62.04 Favored Glycine 0 C--N 1.356 1.682 0 N-CA-C 116.178 1.231 . . . . 13.93 116.178 178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 35.0 mtmt -112.01 136.07 51.83 Favored 'General case' 0 N--CA 1.487 1.388 0 CA-C-N 118.453 1.126 . . . . 23.92 112.179 -178.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.7 mt-30 -78.32 129.49 35.07 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 108.232 -1.025 . . . . 23.23 108.232 177.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 29.8 mt -85.88 135.61 33.63 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.645 0.378 . . . . 9.11 112.011 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.57 142.82 27.32 Favored 'General case' 0 N--CA 1.48 1.041 0 O-C-N 123.365 0.415 . . . . 33.44 111.77 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -30.19 70.46 Favored 'General case' 0 N--CA 1.486 1.35 0 N-CA-C 113.927 1.084 . . . . 28.37 113.927 -178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.89 -1.26 89.85 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.929 -0.928 . . . . 15.0 115.004 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.78 11.41 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 118.241 1.02 . . . . 25.5 111.282 178.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 62.7 p -105.46 165.19 11.31 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-O 121.205 0.526 . . . . 11.95 110.578 179.331 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.3 mt -59.32 -37.78 78.65 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-N 114.879 -1.055 . . . . 10.17 112.525 178.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.9 p -67.09 -30.53 70.59 Favored 'General case' 0 C--N 1.364 1.208 0 CA-C-N 119.349 0.977 . . . . 13.59 112.062 179.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.52 -30.33 70.56 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 112.022 0.379 . . . . 11.7 112.022 179.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -98.25 9.88 41.95 Favored 'General case' 0 CA--C 1.556 1.184 0 N-CA-C 112.355 0.502 . . . . 12.95 112.355 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 62.9 m-80 56.06 38.65 30.14 Favored 'General case' 0 C--N 1.366 1.303 0 C-N-CA 124.154 0.982 . . . . 25.45 112.567 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.74 124.53 38.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.872 -1.159 . . . . 14.6 107.872 177.536 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 mt-30 -114.26 172.31 7.09 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.164 0.985 . . . . 33.23 111.966 -177.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.3 pttt -52.73 140.9 22.48 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 112.947 0.721 . . . . 25.97 112.947 -178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 66.18 17.47 10.75 Favored 'General case' 0 CA--C 1.55 0.961 0 N-CA-C 114.817 1.414 . . . . 32.61 114.817 -179.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.66 153.09 35.5 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 118.825 0.738 . . . . 10.56 109.148 176.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 13.8 m -112.19 123.44 50.28 Favored 'General case' 0 C--N 1.355 0.832 0 C-N-CA 123.355 0.662 . . . . 5.33 111.183 -179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.48 155.08 19.95 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 107.723 -1.214 . . . . 11.66 107.723 176.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -112.41 134.22 54.06 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 122.697 0.399 . . . . 16.3 110.619 179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.6 tp -108.13 129.36 55.17 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 109.602 -0.518 . . . . 9.96 109.602 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.8 t -120.19 139.01 48.88 Favored 'Isoleucine or valine' 0 C--N 1.359 1.019 0 N-CA-C 107.21 -1.404 . . . . 9.76 107.21 178.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.0 mt -103.0 131.21 50.14 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 122.848 0.459 . . . . 19.57 111.383 -179.193 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 60.8 ttt-85 -97.41 118.64 34.35 Favored 'General case' 0 C--N 1.352 0.705 0 O-C-N 123.592 0.558 . . . . 35.08 110.378 179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.8 107.63 3.0 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 123.446 0.466 . . . . 32.31 111.208 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.6 mtm-85 -154.45 115.56 4.05 Favored 'General case' 0 C--N 1.353 0.727 0 O-C-N 123.527 0.517 . . . . 42.75 111.36 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -167.45 133.28 2.85 Favored Glycine 0 C--N 1.352 1.435 0 O-C-N 123.726 0.641 . . . . 36.31 113.055 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.513 0 CA-C-O 118.338 -1.257 . . . . 36.2 112.506 -179.936 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 86.6 mt-30 -95.54 141.38 29.13 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 122.955 0.502 . . . . 21.89 110.644 179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.7 pt -132.75 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.867 0 CA-C-N 115.433 -0.803 . . . . 10.83 109.208 178.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.73 139.23 54.19 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 117.948 0.34 . . . . 10.61 111.532 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.18 125.05 73.8 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.403 0 N-CA-C 108.522 -0.918 . . . . 9.13 108.522 178.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -103.4 135.79 44.35 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 122.955 0.502 . . . . 20.55 110.439 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.74 160.63 14.3 Favored 'General case' 0 C--N 1.359 1.021 0 O-C-N 123.491 0.494 . . . . 11.78 111.568 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 44.8 mt -63.41 -11.19 21.15 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.986 1.476 . . . . 19.31 114.986 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 49.6 p -98.7 -11.4 22.01 Favored 'General case' 0 C--N 1.364 1.2 0 N-CA-C 113.152 0.797 . . . . 23.14 113.152 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 112.36 15.9 9.32 Favored Glycine 0 C--N 1.359 1.82 0 N-CA-C 115.841 1.096 . . . . 19.74 115.841 178.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 72.6 tttt -100.11 137.25 38.81 Favored 'General case' 0 C--N 1.369 1.452 0 O-C-N 124.496 0.762 . . . . 21.93 112.863 -177.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -115.38 123.53 48.91 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 108.433 -0.951 . . . . 12.33 108.433 178.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.2 mt -108.24 138.65 33.89 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 N-CA-C 108.658 -0.868 . . . . 17.08 108.658 178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -103.56 130.71 51.02 Favored 'General case' 0 C--N 1.354 0.792 0 N-CA-C 108.79 -0.819 . . . . 16.3 108.79 178.064 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.4 mt -127.06 143.87 51.17 Favored 'General case' 0 N--CA 1.478 0.943 0 O-C-N 123.436 0.46 . . . . 15.88 111.319 -179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -97.69 121.0 39.09 Favored 'General case' 0 C--N 1.354 0.781 0 N-CA-C 106.344 -1.725 . . . . 28.9 106.344 175.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.4 m -139.65 166.58 20.77 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 112.095 0.405 . . . . 12.05 112.095 -176.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -115.7 147.84 39.83 Favored Pre-proline 0 N--CA 1.474 0.743 0 N-CA-C 107.456 -1.313 . . . . 18.17 107.456 175.599 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.4 Cg_exo -57.25 -27.28 74.25 Favored 'Trans proline' 0 C--N 1.379 2.175 0 C-N-CA 121.781 1.654 . . . . 8.16 114.786 -178.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 p -82.39 -0.14 44.62 Favored 'General case' 0 CA--C 1.547 0.853 0 N-CA-C 113.02 0.748 . . . . 11.13 113.02 178.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -72.62 143.57 48.14 Favored 'General case' 0 C--N 1.365 1.281 0 CA-C-N 118.842 0.747 . . . . 18.03 109.213 178.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.7 p -86.49 157.69 19.73 Favored 'General case' 0 C--N 1.349 0.557 0 O-C-N 123.836 0.71 . . . . 10.22 110.549 178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.52 -42.59 88.46 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.419 0 CA-C-N 116.334 -0.394 . . . . 12.3 110.258 178.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -55.51 -37.36 67.8 Favored 'General case' 0 N--CA 1.501 2.078 0 C-N-CA 122.41 0.284 . . . . 36.51 110.372 176.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -68.91 -40.02 79.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.228 0.33 . . . . 25.66 110.487 178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.1 t -62.3 -42.8 96.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.185 0 N-CA-C 109.674 -0.491 . . . . 8.12 109.674 176.732 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.6 -39.72 92.24 Favored 'General case' 0 N--CA 1.487 1.377 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.451 177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -38.92 91.83 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 123.053 0.221 . . . . 11.45 111.268 179.345 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.24 -38.43 90.32 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.655 0.382 . . . . 24.98 110.8 176.722 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.92 -41.52 87.67 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.258 0 N-CA-C 109.644 -0.502 . . . . 9.46 109.644 176.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -57.88 -43.15 85.88 Favored 'General case' 0 N--CA 1.505 2.315 0 N-CA-C 109.638 -0.505 . . . . 14.76 109.638 177.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -63.33 -41.88 98.92 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.823 0.702 . . . . 26.29 111.425 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.81 -42.66 23.93 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 113.509 0.929 . . . . 30.06 113.509 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -116.2 -5.83 11.87 Favored 'General case' 0 N--CA 1.487 1.412 0 N-CA-C 117.319 2.34 . . . . 25.19 117.319 -174.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.18 12.48 84.57 Favored Glycine 0 CA--C 1.537 1.429 0 N-CA-C 116.911 1.525 . . . . 7.41 116.911 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.6 mt -85.56 121.81 73.42 Favored Pre-proline 0 CA--C 1.548 0.889 0 CA-C-O 118.285 -0.864 . . . . 9.49 108.949 179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_exo -65.18 144.79 82.55 Favored 'Trans proline' 0 C--N 1.386 2.516 0 C-N-CA 122.121 1.88 . . . . 11.42 111.531 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -58.15 -31.71 93.98 Favored 'Trans proline' 0 C--N 1.385 2.489 0 C-N-CA 122.462 2.108 . . . . 12.0 113.864 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -69.43 -18.15 63.71 Favored 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 112.991 0.737 . . . . 35.55 112.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.9 mt-30 -101.1 -0.59 35.94 Favored 'General case' 0 CA--C 1.554 1.124 0 N-CA-C 113.019 0.748 . . . . 20.52 113.019 178.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.3 mt-30 -103.3 134.14 47.2 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 113.674 0.99 . . . . 7.13 113.674 -177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.5 mtt180 -122.69 127.47 49.32 Favored 'General case' 0 C--N 1.355 0.836 0 N-CA-C 107.15 -1.426 . . . . 36.39 107.15 176.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.7 mt -109.76 131.48 55.02 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-N 118.363 0.529 . . . . 9.55 110.788 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.3 136.56 60.47 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 O-C-N 123.825 0.703 . . . . 13.9 110.895 -178.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -135.8 125.0 24.54 Favored 'General case' 0 C--N 1.35 0.629 0 N-CA-C 108.027 -1.101 . . . . 6.86 108.027 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.56 21.55 Favored 'General case' 0 N--CA 1.49 1.535 0 CA-C-O 121.417 0.627 . . . . 11.15 112.511 -179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.1 2.45 62.23 Favored Glycine 0 C--N 1.357 1.731 0 N-CA-C 116.205 1.242 . . . . 13.93 116.205 178.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -111.66 136.11 51.33 Favored 'General case' 0 N--CA 1.486 1.37 0 CA-C-N 118.351 1.075 . . . . 23.92 112.302 -178.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.9 tt0 -77.97 128.95 34.69 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.055 -1.091 . . . . 23.23 108.055 177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 28.0 mt -85.83 135.56 33.66 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 122.624 0.37 . . . . 9.11 111.972 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -89.48 142.51 27.6 Favored 'General case' 0 N--CA 1.48 1.073 0 O-C-N 123.298 0.374 . . . . 33.44 111.877 -179.543 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -61.49 -29.44 69.98 Favored 'General case' 0 N--CA 1.486 1.345 0 N-CA-C 114.043 1.127 . . . . 28.37 114.043 -178.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.54 -1.22 89.28 Favored Glycine 0 CA--C 1.541 1.703 0 CA-C-O 118.962 -0.91 . . . . 15.0 114.993 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -102.82 164.87 11.38 Favored 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.229 1.015 . . . . 25.5 111.189 178.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.1 p -105.59 165.11 11.38 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 121.203 0.525 . . . . 11.95 110.573 179.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.3 mt -59.43 -38.08 79.77 Favored 'General case' 0 N--CA 1.483 1.186 0 CA-C-N 114.998 -1.001 . . . . 10.17 112.43 178.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.0 t -66.67 -31.05 71.47 Favored 'General case' 0 C--N 1.364 1.199 0 CA-C-N 119.243 0.929 . . . . 13.59 111.708 179.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.24 -30.13 70.26 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 112.11 0.411 . . . . 11.7 112.11 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -98.45 9.45 43.11 Favored 'General case' 0 CA--C 1.557 1.221 0 N-CA-C 112.551 0.575 . . . . 12.95 112.551 178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.7 38.22 29.37 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 123.813 0.845 . . . . 25.45 111.98 179.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.9 mt -80.79 124.24 38.36 Favored 'Isoleucine or valine' 0 C--N 1.358 0.968 0 N-CA-C 107.646 -1.242 . . . . 14.6 107.646 177.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -114.22 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.226 1.01 . . . . 33.23 112.008 -177.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -52.67 140.75 22.62 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 112.863 0.69 . . . . 25.97 112.863 -178.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 66.17 17.5 10.76 Favored 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 114.862 1.43 . . . . 32.61 114.862 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.8 m -76.55 152.96 35.81 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 10.56 109.076 175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.1 m -112.08 123.53 50.46 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.28 0.632 . . . . 5.33 111.078 -179.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.56 155.11 19.96 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 107.687 -1.227 . . . . 11.66 107.687 176.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.9 m80 -112.44 134.42 53.98 Favored 'General case' 0 C--N 1.351 0.634 0 C-N-CA 122.658 0.383 . . . . 16.3 110.675 179.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.0 tp -108.39 129.25 55.26 Favored 'General case' 0 C--N 1.355 0.83 0 N-CA-C 109.567 -0.531 . . . . 9.96 109.567 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -119.79 136.56 56.51 Favored 'Isoleucine or valine' 0 C--N 1.36 1.044 0 N-CA-C 107.009 -1.478 . . . . 9.76 107.009 178.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.3 mt -101.17 129.69 47.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.828 0.451 . . . . 19.57 111.428 -179.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.0 ttt-85 -96.43 105.33 17.4 Favored 'General case' 0 C--N 1.354 0.765 0 O-C-N 123.547 0.53 . . . . 35.08 110.201 179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -157.79 120.15 3.79 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 123.371 0.42 . . . . 32.31 111.248 -179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 54.3 mtm180 -149.35 -56.89 0.2 Allowed 'General case' 0 N--CA 1.474 0.751 0 O-C-N 123.468 0.48 . . . . 42.75 111.077 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -172.6 -172.1 38.02 Favored Glycine 0 C--N 1.347 1.192 0 O-C-N 123.766 0.666 . . . . 36.31 113.32 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.473 0 CA-C-O 118.381 -1.233 . . . . 36.2 112.698 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 111.515 0.191 . . . . 17.17 111.515 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.7 mt-30 -95.32 142.65 27.47 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.972 0.509 . . . . 21.89 110.526 179.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.89 163.22 37.86 Favored 'Isoleucine or valine' 0 C--N 1.356 0.873 0 CA-C-N 115.454 -0.794 . . . . 10.83 109.26 178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -123.53 139.04 54.42 Favored 'General case' 0 N--CA 1.481 1.105 0 CA-C-O 119.464 -0.303 . . . . 10.61 111.387 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 40.1 t -119.96 125.01 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.341 0 N-CA-C 108.609 -0.885 . . . . 9.13 108.609 178.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.0 mtmt -103.55 134.91 46.11 Favored 'General case' 0 C--N 1.358 0.942 0 C-N-CA 122.901 0.48 . . . . 20.55 110.118 179.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.7 p -100.46 161.94 13.27 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 123.571 0.545 . . . . 11.78 111.164 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.9 mt -59.54 -13.34 8.75 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 114.487 1.291 . . . . 19.31 114.487 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 38.7 p -94.24 -7.86 40.86 Favored 'General case' 0 C--N 1.361 1.101 0 C-N-CA 122.966 0.507 . . . . 23.14 112.171 177.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.77 5.87 56.44 Favored Glycine 0 C--N 1.367 2.28 0 N-CA-C 115.566 0.986 . . . . 19.74 115.566 178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.1 tttp -81.91 142.84 32.11 Favored 'General case' 0 C--N 1.369 1.424 0 O-C-N 124.078 0.516 . . . . 21.93 110.076 178.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 22.0 m -116.86 126.04 52.43 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 109.337 -0.616 . . . . 12.33 109.337 179.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.11 138.94 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.6 m -104.2 130.94 51.97 Favored 'General case' 0 C--N 1.357 0.894 0 N-CA-C 108.94 -0.763 . . . . 16.3 108.94 178.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.9 mt -127.22 144.38 51.05 Favored 'General case' 0 N--CA 1.48 1.064 0 O-C-N 123.525 0.516 . . . . 15.88 111.508 -179.094 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -97.86 120.83 38.96 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 106.425 -1.694 . . . . 28.9 106.425 175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 23.8 m -139.55 166.68 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.209 0.448 . . . . 12.05 112.209 -176.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mm-40 -116.08 148.32 41.19 Favored Pre-proline 0 N--CA 1.474 0.729 0 N-CA-C 107.642 -1.244 . . . . 18.17 107.642 175.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.2 Cg_exo -58.21 -27.4 80.37 Favored 'Trans proline' 0 C--N 1.379 2.156 0 C-N-CA 121.835 1.69 . . . . 8.16 114.972 -178.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.7 -0.17 46.19 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.271 0.841 . . . . 11.13 113.271 179.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -72.54 143.85 48.17 Favored 'General case' 0 C--N 1.364 1.228 0 CA-C-N 118.803 0.728 . . . . 18.03 109.139 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.4 p -86.42 157.68 19.78 Favored 'General case' 0 C--N 1.349 0.576 0 CA-C-N 115.706 -0.679 . . . . 10.22 110.484 178.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.33 -42.53 87.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.257 -0.429 . . . . 12.3 110.278 178.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -55.74 -37.25 68.23 Favored 'General case' 0 N--CA 1.501 2.097 0 C-N-CA 122.396 0.278 . . . . 36.51 110.474 176.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.9 t30 -68.97 -40.07 79.05 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 123.21 0.318 . . . . 25.66 110.444 178.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.49 -42.54 96.16 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 109.682 -0.488 . . . . 8.12 109.682 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.4 mttm -61.73 -39.86 93.04 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 122.292 0.237 . . . . 15.47 110.495 177.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.42 -38.97 91.77 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 122.984 0.177 . . . . 11.45 111.247 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.47 -38.47 89.89 Favored 'General case' 0 N--CA 1.487 1.378 0 C-N-CA 122.721 0.408 . . . . 24.98 110.87 176.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 72.9 mt -66.92 -41.12 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.317 0 N-CA-C 109.58 -0.526 . . . . 9.46 109.58 176.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -58.13 -42.85 86.69 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 122.949 0.5 . . . . 14.76 109.701 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -63.88 -41.64 97.68 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 123.751 0.657 . . . . 26.29 111.504 -179.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -79.68 -42.74 24.09 Favored 'General case' 0 N--CA 1.482 1.171 0 N-CA-C 113.36 0.874 . . . . 30.06 113.36 -178.035 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -116.23 -5.69 11.85 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 117.334 2.346 . . . . 25.19 117.334 -174.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.17 12.45 84.61 Favored Glycine 0 CA--C 1.537 1.451 0 N-CA-C 116.77 1.468 . . . . 7.41 116.77 177.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.402 HG22 ' HG3' ' A' ' 41' ' ' GLN . 10.6 mt -85.6 122.08 73.33 Favored Pre-proline 0 CA--C 1.552 1.049 0 CA-C-O 118.218 -0.896 . . . . 9.49 108.922 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_exo -66.12 147.11 83.61 Favored 'Trans proline' 0 C--N 1.386 2.512 0 C-N-CA 122.168 1.912 . . . . 11.42 111.626 179.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -60.06 -32.21 94.48 Favored 'Trans proline' 0 C--N 1.386 2.524 0 C-N-CA 122.451 2.101 . . . . 12.0 113.951 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -69.61 -17.95 63.57 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 112.989 0.736 . . . . 35.55 112.989 -178.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -101.07 -1.14 34.94 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 123.067 0.547 . . . . 20.52 112.375 179.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.402 ' HG3' HG22 ' A' ' 36' ' ' ILE . 52.5 mt-30 -103.87 134.49 47.07 Favored 'General case' 0 C--N 1.359 1.012 0 N-CA-C 113.854 1.057 . . . . 7.13 113.854 -177.043 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -123.21 128.01 49.41 Favored 'General case' 0 C--N 1.355 0.817 0 N-CA-C 107.505 -1.294 . . . . 36.39 107.505 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.8 mt -109.0 131.27 55.23 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 123.1 0.56 . . . . 9.55 110.326 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.6 mm -124.34 133.35 69.57 Favored 'Isoleucine or valine' 0 C--N 1.353 0.741 0 CA-C-N 115.529 -0.759 . . . . 13.9 110.55 -177.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -135.16 124.7 25.03 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 108.264 -1.013 . . . . 6.86 108.264 177.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.35 21.06 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-O 121.411 0.624 . . . . 11.15 112.415 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.79 64.49 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.218 1.247 . . . . 13.93 116.218 178.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -112.17 135.99 52.14 Favored 'General case' 0 N--CA 1.486 1.338 0 CA-C-N 118.292 1.046 . . . . 23.92 112.511 -178.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -77.86 129.23 35.14 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 108.138 -1.06 . . . . 23.23 108.138 177.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.8 mt -85.95 135.52 33.63 Favored 'General case' 0 N--CA 1.48 1.063 0 N-CA-C 112.015 0.376 . . . . 9.11 112.015 -179.36 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -89.34 142.41 27.68 Favored 'General case' 0 N--CA 1.48 1.026 0 O-C-N 123.341 0.4 . . . . 33.44 111.836 -179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.43 -28.0 68.95 Favored 'General case' 0 N--CA 1.486 1.327 0 N-CA-C 114.103 1.149 . . . . 28.37 114.103 -178.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.95 -0.83 87.22 Favored Glycine 0 CA--C 1.543 1.784 0 CA-C-O 118.906 -0.941 . . . . 15.0 115.039 179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -103.0 164.99 11.28 Favored 'General case' 0 N--CA 1.481 1.08 0 CA-C-N 118.275 1.037 . . . . 25.5 111.254 178.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.6 p -105.68 165.48 11.14 Favored 'General case' 0 N--CA 1.481 1.102 0 CA-C-O 121.232 0.539 . . . . 11.95 110.619 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.1 mt -59.45 -37.42 78.09 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.941 -1.027 . . . . 10.17 112.553 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.22 -30.58 70.54 Favored 'General case' 0 C--N 1.364 1.197 0 CA-C-N 119.383 0.992 . . . . 13.59 112.128 179.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.36 -30.11 70.32 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 112.139 0.422 . . . . 11.7 112.139 178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.6 m-85 -98.05 9.89 41.74 Favored 'General case' 0 CA--C 1.557 1.232 0 N-CA-C 112.406 0.521 . . . . 12.95 112.406 178.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.3 t30 56.4 38.18 29.48 Favored 'General case' 0 C--N 1.367 1.344 0 C-N-CA 123.857 0.863 . . . . 25.45 111.958 179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 81.1 mt -80.88 124.33 38.53 Favored 'Isoleucine or valine' 0 C--N 1.358 0.958 0 N-CA-C 107.716 -1.216 . . . . 14.6 107.716 177.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 83.2 mt-30 -114.27 172.38 7.04 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.309 1.044 . . . . 33.23 111.884 -177.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -52.63 140.53 23.05 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 113.032 0.753 . . . . 25.97 113.032 -178.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 66.14 17.76 10.82 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 114.874 1.435 . . . . 32.61 114.874 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.9 153.17 34.97 Favored 'General case' 0 N--CA 1.478 0.949 0 O-C-N 121.443 -0.785 . . . . 10.56 109.107 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.8 m -112.1 123.28 49.93 Favored 'General case' 0 C--N 1.354 0.772 0 C-N-CA 123.261 0.624 . . . . 5.33 111.246 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.42 155.28 19.72 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 107.833 -1.173 . . . . 11.66 107.833 176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -112.59 133.99 54.35 Favored 'General case' 0 C--N 1.352 0.679 0 C-N-CA 122.848 0.459 . . . . 16.3 110.656 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 45.2 tp -107.63 129.17 55.03 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 109.42 -0.585 . . . . 9.96 109.42 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.0 t -120.13 137.29 54.44 Favored 'Isoleucine or valine' 0 C--N 1.362 1.137 0 N-CA-C 106.952 -1.499 . . . . 9.76 106.952 178.649 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.1 mt -102.01 136.57 41.62 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 122.883 0.473 . . . . 19.57 111.344 -179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 64.2 ttt-85 -93.65 108.76 20.44 Favored 'General case' 0 C--N 1.353 0.75 0 O-C-N 123.582 0.551 . . . . 35.08 110.474 179.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -156.25 120.47 4.49 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.459 0.474 . . . . 32.31 111.201 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -152.19 171.74 17.47 Favored 'General case' 0 N--CA 1.474 0.735 0 O-C-N 123.398 0.436 . . . . 42.75 111.59 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.36 137.47 1.47 Allowed Glycine 0 C--N 1.352 1.433 0 O-C-N 123.618 0.574 . . . . 36.31 112.525 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.351 1.363 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.468 179.953 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 111.43 0.159 . . . . 17.17 111.43 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -95.45 142.22 28.07 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 122.961 0.504 . . . . 21.89 110.566 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 24.6 pt -133.5 163.29 37.99 Favored 'Isoleucine or valine' 0 C--N 1.355 0.844 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.26 178.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -123.81 139.22 54.19 Favored 'General case' 0 N--CA 1.48 1.039 0 CA-C-O 119.363 -0.351 . . . . 10.61 111.449 -179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.2 t -120.02 125.09 73.89 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 N-CA-C 108.63 -0.878 . . . . 9.13 108.63 178.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.2 ttpt -102.96 135.44 44.63 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.051 0.54 . . . . 20.55 110.305 -179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 19.0 p -101.9 160.48 14.45 Favored 'General case' 0 N--CA 1.48 1.063 0 O-C-N 123.378 0.424 . . . . 11.78 111.393 -179.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.7 mt -64.15 -11.12 27.45 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 115.076 1.51 . . . . 19.31 115.076 -179.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 52.8 p -99.21 -11.72 21.07 Favored 'General case' 0 C--N 1.364 1.222 0 N-CA-C 113.149 0.796 . . . . 23.14 113.149 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.39 16.51 7.63 Favored Glycine 0 C--N 1.356 1.653 0 N-CA-C 115.843 1.097 . . . . 19.74 115.843 178.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.9 tttp -102.23 136.91 41.22 Favored 'General case' 0 C--N 1.367 1.364 0 N-CA-C 113.322 0.86 . . . . 21.93 113.322 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.8 m -115.45 123.13 47.8 Favored 'General case' 0 N--CA 1.474 0.747 0 N-CA-C 108.295 -1.002 . . . . 12.33 108.295 177.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.7 mt -108.06 138.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.354 0.783 0 N-CA-C 108.599 -0.889 . . . . 17.08 108.599 178.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.4 m -103.49 130.64 50.9 Favored 'General case' 0 C--N 1.355 0.839 0 N-CA-C 108.726 -0.842 . . . . 16.3 108.726 178.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 48.8 mt -127.1 143.9 51.16 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 123.426 0.454 . . . . 15.88 111.273 -179.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -97.8 121.02 39.22 Favored 'General case' 0 C--N 1.353 0.751 0 N-CA-C 106.365 -1.717 . . . . 28.9 106.365 175.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.8 m -139.45 166.6 21.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 N-CA-C 112.086 0.402 . . . . 12.05 112.086 -176.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.43 146.79 38.22 Favored Pre-proline 0 N--CA 1.473 0.693 0 N-CA-C 107.313 -1.366 . . . . 18.17 107.313 175.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_exo -56.23 -27.39 66.0 Favored 'Trans proline' 0 C--N 1.38 2.215 0 C-N-CA 121.801 1.667 . . . . 8.16 115.022 -178.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.3 t -82.52 -0.16 45.32 Favored 'General case' 0 CA--C 1.547 0.833 0 N-CA-C 113.1 0.778 . . . . 11.13 113.1 178.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -72.47 143.52 48.4 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 118.865 0.757 . . . . 18.03 109.114 178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.6 p -86.7 157.62 19.61 Favored 'General case' 0 C--N 1.35 0.612 0 CA-C-N 115.591 -0.732 . . . . 10.22 110.527 178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.5 mm -59.38 -42.6 88.01 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-N 116.263 -0.426 . . . . 12.3 110.312 178.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -55.52 -37.27 67.69 Favored 'General case' 0 N--CA 1.5 2.045 0 C-N-CA 122.323 0.249 . . . . 36.51 110.476 176.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.5 t30 -69.0 -40.38 78.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 123.171 0.294 . . . . 25.66 110.514 178.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.402 HG21 HD21 ' A' ' 56' ' ' LEU . 95.7 t -62.01 -42.78 96.21 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 N-CA-C 109.685 -0.487 . . . . 8.12 109.685 176.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.9 mttm -61.43 -39.81 92.15 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-O 119.531 -0.271 . . . . 15.47 110.442 177.504 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.34 -39.0 91.65 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 122.971 0.169 . . . . 11.45 111.362 179.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.1 mttm -65.07 -38.66 91.5 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 122.757 0.423 . . . . 24.98 110.773 176.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 80.1 mt -66.9 -41.37 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 N-CA-C 109.648 -0.501 . . . . 9.46 109.648 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -58.05 -43.11 86.67 Favored 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 109.641 -0.503 . . . . 14.76 109.641 177.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -63.53 -41.71 98.46 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-N 115.827 -0.624 . . . . 26.29 111.494 -179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.73 -42.55 24.35 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 113.521 0.934 . . . . 30.06 113.521 -178.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -116.2 -5.9 11.86 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 117.316 2.339 . . . . 25.19 117.316 -174.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.509 0 N-CA-C 116.832 1.493 . . . . 7.41 116.832 177.335 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.0 mt -85.8 122.01 73.06 Favored Pre-proline 0 CA--C 1.55 0.952 0 CA-C-O 118.304 -0.855 . . . . 9.49 108.839 179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_exo -65.06 145.18 84.44 Favored 'Trans proline' 0 C--N 1.385 2.463 0 C-N-CA 122.115 1.877 . . . . 11.42 111.424 179.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_exo -58.41 -32.26 95.87 Favored 'Trans proline' 0 C--N 1.384 2.438 0 C-N-CA 122.496 2.13 . . . . 12.0 113.801 -178.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -69.31 -17.37 63.71 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 113.132 0.79 . . . . 35.55 113.132 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -101.09 -0.78 35.63 Favored 'General case' 0 CA--C 1.555 1.167 0 N-CA-C 113.003 0.742 . . . . 20.52 113.003 178.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -103.49 134.21 47.24 Favored 'General case' 0 C--N 1.358 0.977 0 N-CA-C 113.606 0.965 . . . . 7.13 113.606 -177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 81.6 mtt180 -122.86 127.76 49.44 Favored 'General case' 0 C--N 1.355 0.835 0 N-CA-C 107.404 -1.332 . . . . 36.39 107.404 176.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 95.4 mt -108.77 131.01 55.37 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.186 0.594 . . . . 9.55 110.445 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 1.9 mm -124.03 133.38 69.43 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 CA-C-N 115.545 -0.752 . . . . 13.9 110.564 -177.197 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -134.9 124.63 25.29 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.174 -1.047 . . . . 6.86 108.174 177.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.58 46.53 21.05 Favored 'General case' 0 N--CA 1.488 1.462 0 CA-C-O 121.379 0.609 . . . . 11.15 112.466 -179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.38 2.76 64.06 Favored Glycine 0 C--N 1.358 1.759 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.8 mttt -112.01 136.21 51.65 Favored 'General case' 0 N--CA 1.487 1.421 0 CA-C-N 118.288 1.044 . . . . 23.92 112.545 -178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -77.92 129.39 35.28 Favored 'General case' 0 N--CA 1.482 1.127 0 N-CA-C 108.165 -1.05 . . . . 23.23 108.165 177.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.1 mt -86.01 135.6 33.58 Favored 'General case' 0 N--CA 1.48 1.054 0 N-CA-C 111.938 0.347 . . . . 9.11 111.938 -179.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.48 142.28 27.81 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.345 0.403 . . . . 33.44 111.864 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.28 -28.33 69.11 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 114.144 1.164 . . . . 28.37 114.144 -178.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -85.69 -0.91 87.68 Favored Glycine 0 CA--C 1.542 1.766 0 CA-C-O 118.941 -0.922 . . . . 15.0 115.082 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.3 mmt-85 -103.11 165.03 11.26 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-N 118.203 1.001 . . . . 25.5 111.233 178.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 71.6 p -105.69 165.53 11.1 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-O 121.162 0.506 . . . . 11.95 110.606 179.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD21 HG21 ' A' ' 26' ' ' VAL . 95.3 mt -59.32 -37.52 77.98 Favored 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 114.898 -1.046 . . . . 10.17 112.544 178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.2 p -67.34 -30.54 70.39 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 119.374 0.988 . . . . 13.59 112.087 179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -61.28 -30.4 70.45 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 112.01 0.374 . . . . 11.7 112.01 178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -98.2 9.94 41.76 Favored 'General case' 0 CA--C 1.558 1.267 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 55.2 m-80 56.03 38.65 30.15 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.114 0.966 . . . . 25.45 112.636 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.76 124.55 38.69 Favored 'Isoleucine or valine' 0 C--N 1.356 0.85 0 N-CA-C 107.796 -1.187 . . . . 14.6 107.796 177.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 25.6 mm100 -114.19 172.41 7.02 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.185 0.994 . . . . 33.23 111.874 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.9 pttt -52.82 140.81 23.15 Favored 'General case' 0 N--CA 1.486 1.351 0 N-CA-C 112.97 0.73 . . . . 25.97 112.97 -178.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 66.13 17.57 10.79 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.869 1.433 . . . . 32.61 114.869 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.9 m -76.74 153.06 35.38 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 118.815 0.734 . . . . 10.56 109.083 175.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.24 123.37 50.13 Favored 'General case' 0 C--N 1.355 0.828 0 C-N-CA 123.336 0.654 . . . . 5.33 111.249 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.13 155.09 19.79 Favored 'General case' 0 C--N 1.353 0.755 0 N-CA-C 107.842 -1.17 . . . . 11.66 107.842 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -112.09 134.17 53.8 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 122.727 0.411 . . . . 16.3 110.533 179.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 42.0 tp -107.67 128.78 54.86 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.476 -0.565 . . . . 9.96 109.476 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.1 t -119.36 136.6 56.01 Favored 'Isoleucine or valine' 0 C--N 1.36 1.065 0 N-CA-C 106.814 -1.55 . . . . 9.76 106.814 178.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -101.7 131.39 47.98 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 122.867 0.467 . . . . 19.57 111.403 -179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -98.0 109.64 22.36 Favored 'General case' 0 C--N 1.354 0.778 0 O-C-N 123.555 0.534 . . . . 35.08 110.226 179.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.6 tt -153.38 118.5 5.13 Favored 'General case' 0 N--CA 1.473 0.721 0 O-C-N 123.314 0.384 . . . . 32.31 111.326 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.0 mtm-85 -154.43 172.2 18.13 Favored 'General case' 0 N--CA 1.475 0.797 0 O-C-N 123.489 0.493 . . . . 42.75 111.588 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 79.12 -166.97 52.09 Favored Glycine 0 C--N 1.353 1.497 0 O-C-N 123.476 0.485 . . . . 36.31 112.861 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.467 0 CA-C-O 118.374 -1.236 . . . . 36.2 112.951 -179.886 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.428 0 N-CA-C 111.444 0.165 . . . . 17.17 111.444 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -95.43 143.25 26.93 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 123.55 0.531 . . . . 21.89 110.52 179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -134.35 163.44 36.91 Favored 'Isoleucine or valine' 0 C--N 1.356 0.872 0 CA-C-N 115.443 -0.799 . . . . 10.83 109.419 178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -123.4 139.31 54.16 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-O 119.34 -0.362 . . . . 10.61 111.367 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -120.18 124.3 72.36 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.405 0 N-CA-C 108.598 -0.89 . . . . 9.13 108.598 178.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.3 mttt -103.29 136.49 42.96 Favored 'General case' 0 C--N 1.358 0.943 0 C-N-CA 122.62 0.368 . . . . 20.55 110.66 179.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.5 p -102.22 160.87 14.15 Favored 'General case' 0 C--N 1.361 1.075 0 O-C-N 123.503 0.502 . . . . 11.78 111.424 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 41.5 mt -64.23 -10.95 26.73 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 115.19 1.552 . . . . 19.31 115.19 -179.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.4 p -99.21 -11.82 20.98 Favored 'General case' 0 N--CA 1.483 1.193 0 N-CA-C 113.276 0.843 . . . . 23.14 113.276 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.74 16.47 7.45 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.808 1.083 . . . . 19.74 115.808 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 tttp -102.23 136.48 41.99 Favored 'General case' 0 C--N 1.367 1.332 0 N-CA-C 113.221 0.822 . . . . 21.93 113.221 -177.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.5 m -114.91 123.84 50.16 Favored 'General case' 0 N--CA 1.476 0.872 0 N-CA-C 108.121 -1.066 . . . . 12.33 108.121 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.0 mt -108.68 138.52 35.27 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.937 0 N-CA-C 108.92 -0.77 . . . . 17.08 108.92 179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 6.0 m -102.37 130.53 49.14 Favored 'General case' 0 C--N 1.353 0.733 0 N-CA-C 108.517 -0.92 . . . . 16.3 108.517 177.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.6 mp -125.19 141.04 52.34 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.478 0.486 . . . . 15.88 110.599 -178.653 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -97.28 120.5 37.75 Favored 'General case' 0 C--N 1.354 0.766 0 N-CA-C 105.799 -1.926 . . . . 28.9 105.799 175.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.59 167.28 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 N-CA-C 112.329 0.492 . . . . 12.05 112.329 -176.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.9 mm-40 -116.23 147.1 38.72 Favored Pre-proline 0 N--CA 1.473 0.717 0 N-CA-C 107.265 -1.383 . . . . 18.17 107.265 175.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -56.7 -27.27 69.87 Favored 'Trans proline' 0 C--N 1.379 2.168 0 C-N-CA 121.906 1.737 . . . . 8.16 114.957 -178.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.4 t -82.32 -0.03 43.83 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.162 0.801 . . . . 11.13 113.162 178.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.366 1.299 0 CA-C-N 118.861 0.755 . . . . 18.03 109.226 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 60.3 p -86.62 157.65 19.65 Favored 'General case' 0 C--N 1.35 0.627 0 O-C-N 123.761 0.663 . . . . 10.22 110.513 178.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.7 mm -59.59 -42.54 88.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 CA-C-N 116.305 -0.407 . . . . 12.3 110.314 178.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -55.44 -37.19 67.39 Favored 'General case' 0 N--CA 1.502 2.137 0 N-CA-C 110.372 -0.233 . . . . 36.51 110.372 176.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -68.81 -40.12 79.73 Favored 'General case' 0 N--CA 1.485 1.325 0 O-C-N 123.222 0.327 . . . . 25.66 110.457 178.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.4 t -62.28 -42.88 97.05 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 N-CA-C 109.79 -0.448 . . . . 8.12 109.79 176.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.8 mttm -61.63 -40.0 93.3 Favored 'General case' 0 N--CA 1.488 1.428 0 CA-C-O 119.526 -0.273 . . . . 15.47 110.486 177.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.35 -38.86 91.16 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 123.093 0.246 . . . . 11.45 111.31 179.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 21.8 mtpp -65.46 -38.37 89.62 Favored 'General case' 0 N--CA 1.485 1.285 0 C-N-CA 122.712 0.405 . . . . 24.98 110.845 176.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 91.1 mt -66.81 -41.52 87.93 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 N-CA-C 109.659 -0.497 . . . . 9.46 109.659 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -57.92 -43.07 86.04 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.545 -0.539 . . . . 14.76 109.545 177.477 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -63.62 -41.64 98.26 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 123.765 0.666 . . . . 26.29 111.503 -179.464 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.0 mttt -79.71 -42.78 23.93 Favored 'General case' 0 N--CA 1.481 1.098 0 N-CA-C 113.502 0.927 . . . . 30.06 113.502 -177.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -116.13 -5.87 11.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 117.296 2.332 . . . . 25.19 117.296 -174.144 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.34 12.52 84.49 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 116.837 1.495 . . . . 7.41 116.837 177.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.9 mt -85.72 122.34 73.12 Favored Pre-proline 0 N--CA 1.478 0.926 0 N-CA-C 108.787 -0.82 . . . . 9.49 108.787 179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.65 145.28 81.17 Favored 'Trans proline' 0 C--N 1.386 2.545 0 C-N-CA 122.015 1.81 . . . . 11.42 111.444 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -58.4 -31.92 95.08 Favored 'Trans proline' 0 C--N 1.386 2.514 0 C-N-CA 122.392 2.062 . . . . 12.0 113.782 -178.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -69.12 -18.11 63.92 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.299 0.851 . . . . 35.55 113.299 -178.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -101.09 -0.73 35.72 Favored 'General case' 0 CA--C 1.555 1.154 0 N-CA-C 113.103 0.779 . . . . 20.52 113.103 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 -103.32 134.41 46.76 Favored 'General case' 0 C--N 1.357 0.905 0 N-CA-C 113.737 1.014 . . . . 7.13 113.737 -177.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.8 mtt180 -123.03 127.64 49.07 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 107.399 -1.334 . . . . 36.39 107.399 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 89.0 mt -109.87 131.38 55.11 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 118.355 0.525 . . . . 9.55 110.935 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.91 136.49 60.63 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.819 0 C-N-CA 123.359 0.664 . . . . 13.9 110.833 -178.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -135.87 125.07 24.57 Favored 'General case' 0 C--N 1.352 0.674 0 N-CA-C 107.937 -1.134 . . . . 6.86 107.937 177.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.74 46.2 21.66 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-O 121.356 0.598 . . . . 11.15 112.523 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.21 2.62 63.05 Favored Glycine 0 CA--C 1.541 1.672 0 N-CA-C 116.208 1.243 . . . . 13.93 116.208 178.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.6 mttt -111.83 136.02 51.67 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 118.357 1.078 . . . . 23.92 112.329 -178.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -78.42 129.12 34.56 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 107.968 -1.123 . . . . 23.23 107.968 177.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.1 mt -85.72 135.64 33.67 Favored 'General case' 0 N--CA 1.479 0.991 0 N-CA-C 112.099 0.407 . . . . 9.11 112.099 -179.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.1 mt-10 -89.52 142.6 27.53 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 123.322 0.389 . . . . 33.44 111.671 -179.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.31 -29.74 70.06 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 114.086 1.143 . . . . 28.37 114.086 -178.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.44 -0.82 89.42 Favored Glycine 0 CA--C 1.543 1.799 0 CA-C-O 118.922 -0.932 . . . . 15.0 114.942 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 64.8 mmt-85 -103.26 164.98 11.3 Favored 'General case' 0 N--CA 1.481 1.114 0 CA-C-N 118.236 1.018 . . . . 25.5 111.314 178.67 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -105.78 165.52 11.12 Favored 'General case' 0 N--CA 1.48 1.059 0 CA-C-O 121.148 0.499 . . . . 11.95 110.674 179.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 94.0 mt -59.29 -37.86 78.73 Favored 'General case' 0 N--CA 1.482 1.157 0 CA-C-N 114.965 -1.016 . . . . 10.17 112.475 178.215 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.4 t -66.81 -31.05 71.43 Favored 'General case' 0 C--N 1.363 1.192 0 CA-C-N 119.279 0.945 . . . . 13.59 111.676 179.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.37 -30.42 70.53 Favored 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 112.012 0.375 . . . . 11.7 112.012 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.2 m-85 -97.98 9.79 41.93 Favored 'General case' 0 CA--C 1.556 1.182 0 N-CA-C 112.435 0.532 . . . . 12.95 112.435 178.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 t30 56.42 38.2 29.49 Favored 'General case' 0 C--N 1.368 1.385 0 C-N-CA 123.914 0.886 . . . . 25.45 111.933 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.4 mt -80.84 124.35 38.52 Favored 'Isoleucine or valine' 0 C--N 1.357 0.92 0 N-CA-C 107.59 -1.263 . . . . 14.6 107.59 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -114.33 172.3 7.09 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.199 0.999 . . . . 33.23 111.91 -177.725 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 pttt -52.79 140.74 23.2 Favored 'General case' 0 N--CA 1.487 1.392 0 N-CA-C 112.981 0.734 . . . . 25.97 112.981 -178.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 66.33 17.47 10.7 Favored 'General case' 0 CA--C 1.55 0.967 0 N-CA-C 114.637 1.347 . . . . 32.61 114.637 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.2 m -76.79 153.04 35.32 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 118.885 0.766 . . . . 10.56 109.08 176.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.15 123.59 50.59 Favored 'General case' 0 C--N 1.353 0.756 0 C-N-CA 123.3 0.64 . . . . 5.33 111.409 -179.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.47 154.66 20.53 Favored 'General case' 0 C--N 1.355 0.832 0 N-CA-C 107.877 -1.157 . . . . 11.66 107.877 176.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.39 53.75 Favored 'General case' 0 C--N 1.351 0.662 0 C-N-CA 122.721 0.408 . . . . 16.3 110.58 179.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.21 129.0 55.21 Favored 'General case' 0 C--N 1.355 0.838 0 N-CA-C 109.606 -0.516 . . . . 9.96 109.606 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.85 139.13 48.17 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.11 -1.441 . . . . 9.76 107.11 178.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.7 mt -103.02 131.14 50.22 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.842 0.457 . . . . 19.57 111.217 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -94.8 126.61 40.24 Favored 'General case' 0 C--N 1.354 0.771 0 O-C-N 123.502 0.501 . . . . 35.08 110.512 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -150.98 117.38 5.68 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.444 0.465 . . . . 32.31 110.922 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 85.9 mtt-85 -150.25 164.43 35.74 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 123.496 0.498 . . . . 42.75 111.415 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.9 -154.81 41.91 Favored Glycine 0 C--N 1.352 1.438 0 O-C-N 123.579 0.549 . . . . 36.31 112.424 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.462 0 CA-C-O 118.401 -1.222 . . . . 36.2 112.864 179.92 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ptt? . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 111.387 0.143 . . . . 17.17 111.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 87.4 mt-30 -95.58 141.91 28.54 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 123.498 0.499 . . . . 21.89 110.551 179.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 26.0 pt -133.17 163.29 38.22 Favored 'Isoleucine or valine' 0 C--N 1.357 0.894 0 CA-C-N 115.383 -0.826 . . . . 10.83 109.212 178.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -123.85 139.17 54.23 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 119.392 -0.337 . . . . 10.61 111.367 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.8 t -120.04 125.09 73.9 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.382 0 N-CA-C 108.515 -0.92 . . . . 9.13 108.515 178.364 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.1 ttpt -103.06 135.55 44.52 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 123.006 0.522 . . . . 20.55 110.321 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.7 p -102.0 160.5 14.44 Favored 'General case' 0 N--CA 1.481 1.089 0 O-C-N 123.44 0.463 . . . . 11.78 111.421 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.8 mt -64.29 -11.0 27.57 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 115.156 1.539 . . . . 19.31 115.156 -179.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 53.8 p -99.24 -11.95 20.84 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 113.116 0.784 . . . . 23.14 113.116 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 114.72 16.52 7.44 Favored Glycine 0 C--N 1.356 1.675 0 N-CA-C 115.878 1.111 . . . . 19.74 115.878 178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.1 tttp -102.31 136.84 41.43 Favored 'General case' 0 C--N 1.368 1.383 0 N-CA-C 113.394 0.887 . . . . 21.93 113.394 -177.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.7 m -115.42 123.24 48.13 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 108.278 -1.008 . . . . 12.33 108.278 177.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.26 138.68 33.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.594 -0.891 . . . . 17.08 108.594 178.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.7 m -103.41 130.54 50.76 Favored 'General case' 0 C--N 1.353 0.753 0 N-CA-C 108.693 -0.855 . . . . 16.3 108.693 177.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.4 mt -127.04 143.67 51.22 Favored 'General case' 0 N--CA 1.478 0.944 0 O-C-N 123.439 0.462 . . . . 15.88 111.193 -179.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -97.5 120.93 38.75 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 106.389 -1.708 . . . . 28.9 106.389 175.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -139.26 166.43 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 122.628 0.371 . . . . 12.05 111.938 -176.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -116.04 147.24 38.85 Favored Pre-proline 0 N--CA 1.474 0.758 0 N-CA-C 107.442 -1.318 . . . . 18.17 107.442 176.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_exo -56.82 -27.63 72.78 Favored 'Trans proline' 0 C--N 1.38 2.207 0 C-N-CA 121.78 1.653 . . . . 8.16 114.861 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.5 p -82.26 -0.23 44.48 Favored 'General case' 0 C--N 1.356 0.887 0 N-CA-C 112.888 0.699 . . . . 11.13 112.888 178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -72.37 143.48 48.57 Favored 'General case' 0 C--N 1.367 1.345 0 CA-C-N 118.771 0.714 . . . . 18.03 109.234 178.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 62.2 p -86.61 157.81 19.62 Favored 'General case' 0 C--N 1.349 0.574 0 O-C-N 123.853 0.721 . . . . 10.22 110.47 178.612 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.4 mm -59.47 -42.6 88.35 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 CA-C-N 116.324 -0.398 . . . . 12.3 110.166 178.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -55.4 -37.37 67.51 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 122.275 0.23 . . . . 36.51 110.476 176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -69.1 -40.15 78.54 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 123.222 0.326 . . . . 25.66 110.534 178.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.414 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.36 -42.65 96.32 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.209 0 N-CA-C 109.618 -0.512 . . . . 8.12 109.618 176.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.44 -39.66 91.61 Favored 'General case' 0 N--CA 1.487 1.382 0 CA-C-O 119.604 -0.236 . . . . 15.47 110.432 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.49 -39.0 92.06 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 122.934 0.147 . . . . 11.45 111.328 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 81.6 mttt -65.05 -38.71 91.72 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 122.651 0.38 . . . . 24.98 110.776 176.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.7 mt -66.83 -41.6 87.98 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 CA-C-O 119.107 -0.473 . . . . 9.46 109.724 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -57.89 -43.07 85.85 Favored 'General case' 0 N--CA 1.504 2.26 0 C-N-CA 122.935 0.494 . . . . 14.76 109.691 177.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -63.62 -41.6 98.28 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 123.806 0.691 . . . . 26.29 111.501 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.72 -42.47 24.55 Favored 'General case' 0 N--CA 1.481 1.113 0 N-CA-C 113.529 0.937 . . . . 30.06 113.529 -178.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -116.27 -5.99 11.83 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 117.353 2.353 . . . . 25.19 117.353 -174.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.37 12.51 84.49 Favored Glycine 0 CA--C 1.538 1.522 0 N-CA-C 116.873 1.509 . . . . 7.41 116.873 177.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.77 121.83 73.13 Favored Pre-proline 0 CA--C 1.549 0.936 0 CA-C-O 118.306 -0.854 . . . . 9.49 109.051 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.2 Cg_exo -65.09 144.95 83.72 Favored 'Trans proline' 0 C--N 1.386 2.538 0 C-N-CA 122.106 1.871 . . . . 11.42 111.551 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_exo -58.51 -31.48 94.43 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.403 2.069 . . . . 12.0 113.838 -178.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -69.61 -18.21 63.59 Favored 'General case' 0 N--CA 1.483 1.218 0 N-CA-C 112.941 0.719 . . . . 35.55 112.941 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.4 mt-30 -101.01 -0.52 36.33 Favored 'General case' 0 CA--C 1.555 1.16 0 N-CA-C 112.967 0.728 . . . . 20.52 112.967 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.24 47.08 Favored 'General case' 0 C--N 1.356 0.879 0 N-CA-C 113.637 0.977 . . . . 7.13 113.637 -177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 79.5 mtt180 -122.75 127.52 49.28 Favored 'General case' 0 C--N 1.356 0.866 0 N-CA-C 107.298 -1.371 . . . . 36.39 107.298 176.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 93.3 mt -109.84 131.42 55.08 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 118.359 0.527 . . . . 9.55 110.942 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -124.95 136.41 60.91 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 123.375 0.67 . . . . 13.9 110.904 -178.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -135.77 125.03 24.63 Favored 'General case' 0 C--N 1.351 0.644 0 N-CA-C 108.043 -1.095 . . . . 6.86 108.043 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.65 46.24 21.32 Favored 'General case' 0 N--CA 1.489 1.5 0 CA-C-O 121.366 0.603 . . . . 11.15 112.475 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.2 2.72 63.27 Favored Glycine 0 C--N 1.356 1.673 0 N-CA-C 116.294 1.278 . . . . 13.93 116.294 178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 26.1 mtmm -111.73 136.06 51.48 Favored 'General case' 0 N--CA 1.486 1.345 0 CA-C-N 118.362 1.081 . . . . 23.92 112.361 -178.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.2 tt0 -78.34 129.01 34.5 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 108.027 -1.101 . . . . 23.23 108.027 177.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.2 mt -85.81 135.62 33.65 Favored 'General case' 0 N--CA 1.479 1.015 0 N-CA-C 112.072 0.397 . . . . 9.11 112.072 -179.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -89.42 142.61 27.51 Favored 'General case' 0 N--CA 1.481 1.109 0 O-C-N 123.396 0.435 . . . . 33.44 111.779 -179.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.4 -29.96 70.25 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 113.935 1.087 . . . . 28.37 113.935 -178.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.09 -1.15 89.7 Favored Glycine 0 CA--C 1.542 1.773 0 CA-C-O 118.954 -0.914 . . . . 15.0 115.031 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.2 mmt-85 -103.11 164.72 11.45 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-N 118.182 0.991 . . . . 25.5 111.256 178.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 56.4 p -105.5 165.14 11.35 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-O 121.155 0.502 . . . . 11.95 110.649 179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.414 HD21 HG21 ' A' ' 26' ' ' VAL . 95.7 mt -59.23 -38.18 79.34 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 114.964 -1.016 . . . . 10.17 112.362 178.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.9 t -66.45 -31.05 71.55 Favored 'General case' 0 C--N 1.364 1.212 0 CA-C-N 119.262 0.937 . . . . 13.59 111.714 179.021 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.38 -30.45 70.54 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 112.041 0.386 . . . . 11.7 112.041 178.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -98.53 9.83 42.32 Favored 'General case' 0 CA--C 1.555 1.164 0 N-CA-C 112.392 0.516 . . . . 12.95 112.392 178.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 55.95 38.77 30.35 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 124.159 0.984 . . . . 25.45 112.623 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 79.3 mt -80.82 124.62 38.82 Favored 'Isoleucine or valine' 0 C--N 1.358 0.95 0 N-CA-C 107.859 -1.163 . . . . 14.6 107.859 177.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -114.28 172.32 7.08 Favored 'General case' 0 C--N 1.351 0.651 0 C-N-CA 124.282 1.033 . . . . 33.23 111.889 -177.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -52.84 140.93 22.9 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 112.964 0.727 . . . . 25.97 112.964 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.8 mt-10 66.22 17.36 10.71 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 114.823 1.416 . . . . 32.61 114.823 -179.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.8 m -76.58 153.1 35.64 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 118.895 0.77 . . . . 10.56 109.072 176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.0 m -112.26 123.35 50.08 Favored 'General case' 0 C--N 1.355 0.813 0 C-N-CA 123.397 0.679 . . . . 5.33 111.188 -179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.6 mp -106.34 155.12 19.85 Favored 'General case' 0 C--N 1.353 0.737 0 N-CA-C 107.702 -1.222 . . . . 11.66 107.702 176.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 78.3 m80 -112.18 134.28 53.82 Favored 'General case' 0 C--N 1.35 0.606 0 C-N-CA 122.711 0.404 . . . . 16.3 110.668 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.3 tp -108.2 129.05 55.2 Favored 'General case' 0 C--N 1.354 0.783 0 N-CA-C 109.506 -0.553 . . . . 9.96 109.506 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.1 t -120.36 137.99 52.36 Favored 'Isoleucine or valine' 0 C--N 1.36 1.047 0 N-CA-C 107.112 -1.44 . . . . 9.76 107.112 178.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.6 mt -101.75 128.35 48.12 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.821 0.448 . . . . 19.57 111.28 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -96.16 108.1 20.51 Favored 'General case' 0 C--N 1.355 0.807 0 O-C-N 123.508 0.505 . . . . 35.08 110.427 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.7 tt -153.48 105.53 2.85 Favored 'General case' 0 N--CA 1.473 0.709 0 O-C-N 123.37 0.419 . . . . 32.31 110.988 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 32.8 mtm105 -153.53 157.15 39.34 Favored 'General case' 0 N--CA 1.474 0.761 0 O-C-N 123.409 0.443 . . . . 42.75 111.371 -179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 161.92 -101.54 0.19 Allowed Glycine 0 C--N 1.353 1.495 0 CA-C-O 119.646 -0.53 . . . . 36.31 112.887 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.445 0 CA-C-O 118.324 -1.264 . . . . 36.2 112.467 -179.989 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptt? . . . . . 0 N--CA 1.489 1.482 0 N-CA-C 111.594 0.22 . . . . 17.17 111.594 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 -95.25 143.09 26.94 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 123.079 0.552 . . . . 21.89 110.369 179.514 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.6 pt -134.41 163.49 36.73 Favored 'Isoleucine or valine' 0 C--N 1.357 0.914 0 CA-C-N 115.395 -0.821 . . . . 10.83 109.425 178.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -123.48 138.89 54.48 Favored 'General case' 0 N--CA 1.479 0.998 0 CA-C-O 119.388 -0.339 . . . . 10.61 111.347 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 41.0 t -119.47 125.02 74.0 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.274 0 N-CA-C 108.334 -0.987 . . . . 9.13 108.334 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -103.7 133.75 48.18 Favored 'General case' 0 C--N 1.355 0.822 0 C-N-CA 123.103 0.561 . . . . 20.55 109.855 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 21.8 p -100.91 162.15 13.1 Favored 'General case' 0 N--CA 1.482 1.146 0 O-C-N 123.572 0.545 . . . . 11.78 111.233 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -60.76 -12.38 10.49 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 114.797 1.406 . . . . 19.31 114.797 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 43.3 p -95.36 -8.05 36.81 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 112.362 0.505 . . . . 23.14 112.362 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.31 3.4 53.84 Favored Glycine 0 C--N 1.365 2.158 0 N-CA-C 115.689 1.036 . . . . 19.74 115.689 178.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.7 tttp -82.58 143.08 31.28 Favored 'General case' 0 C--N 1.367 1.342 0 O-C-N 124.181 0.577 . . . . 21.93 110.236 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 23.7 m -117.47 126.78 53.19 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 109.39 -0.596 . . . . 12.33 109.39 178.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.8 mt -109.75 138.96 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 N-CA-C 108.921 -0.77 . . . . 17.08 108.921 178.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -103.94 130.92 51.6 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.038 -0.727 . . . . 16.3 109.038 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.1 mt -127.23 144.24 51.08 Favored 'General case' 0 N--CA 1.479 0.987 0 O-C-N 123.447 0.467 . . . . 15.88 111.413 -179.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -98.07 120.97 39.42 Favored 'General case' 0 C--N 1.353 0.754 0 N-CA-C 106.53 -1.656 . . . . 28.9 106.53 175.619 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.0 m -139.37 167.14 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 N-CA-C 112.187 0.44 . . . . 12.05 112.187 -176.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -116.11 147.81 40.13 Favored Pre-proline 0 N--CA 1.475 0.789 0 N-CA-C 107.565 -1.272 . . . . 18.17 107.565 175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -57.43 -27.56 76.52 Favored 'Trans proline' 0 C--N 1.38 2.185 0 C-N-CA 121.826 1.684 . . . . 8.16 114.983 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.2 p -82.66 -0.08 45.61 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 113.094 0.776 . . . . 11.13 113.094 179.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -72.23 143.39 48.83 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-N 118.654 0.661 . . . . 18.03 109.235 178.688 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.8 p -86.22 157.78 19.88 Favored 'General case' 0 C--N 1.349 0.583 0 O-C-N 123.744 0.652 . . . . 10.22 110.306 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.6 mm -59.41 -42.69 88.4 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 CA-C-N 116.264 -0.426 . . . . 12.3 110.232 178.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -55.55 -37.4 67.93 Favored 'General case' 0 N--CA 1.501 2.086 0 C-N-CA 122.384 0.273 . . . . 36.51 110.389 176.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.3 t-20 -68.92 -39.94 79.35 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 123.233 0.333 . . . . 25.66 110.497 178.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.49 -42.72 96.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.099 0 N-CA-C 109.666 -0.494 . . . . 8.12 109.666 176.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -61.43 -39.82 92.18 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 110.371 -0.233 . . . . 15.47 110.371 177.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.06 91.94 Favored 'General case' 0 N--CA 1.487 1.384 0 CA-C-N 117.489 0.131 . . . . 11.45 111.262 179.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.2 mttm -65.12 -38.56 91.06 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 122.673 0.389 . . . . 24.98 110.867 176.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 70.2 mt -66.75 -41.5 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 N-CA-C 109.75 -0.463 . . . . 9.46 109.75 176.428 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -57.92 -43.19 86.09 Favored 'General case' 0 N--CA 1.506 2.332 0 C-N-CA 123.01 0.524 . . . . 14.76 109.602 177.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.6 m-20 -63.68 -41.55 98.14 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 123.812 0.695 . . . . 26.29 111.465 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.9 mttt -79.7 -42.54 24.48 Favored 'General case' 0 N--CA 1.484 1.227 0 N-CA-C 113.606 0.965 . . . . 30.06 113.606 -178.172 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -116.41 -6.16 11.75 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 117.322 2.342 . . . . 25.19 117.322 -174.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.64 12.54 84.39 Favored Glycine 0 CA--C 1.538 1.492 0 N-CA-C 116.939 1.536 . . . . 7.41 116.939 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 mt -85.48 122.31 73.48 Favored Pre-proline 0 CA--C 1.551 0.983 0 CA-C-O 118.368 -0.825 . . . . 9.49 108.79 179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_exo -65.48 145.75 83.37 Favored 'Trans proline' 0 C--N 1.386 2.539 0 C-N-CA 122.138 1.892 . . . . 11.42 111.508 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.81 -32.06 96.42 Favored 'Trans proline' 0 C--N 1.385 2.455 0 C-N-CA 122.364 2.043 . . . . 12.0 113.915 -178.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -69.32 -18.08 63.78 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 113.143 0.794 . . . . 35.55 113.143 -178.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -101.12 -0.27 36.49 Favored 'General case' 0 CA--C 1.553 1.082 0 N-CA-C 113.056 0.761 . . . . 20.52 113.056 178.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -103.71 134.58 46.78 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 113.759 1.022 . . . . 7.13 113.759 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -123.16 127.9 49.31 Favored 'General case' 0 C--N 1.358 0.947 0 N-CA-C 107.446 -1.316 . . . . 36.39 107.446 176.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.1 mt -110.15 131.75 54.78 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.117 0.567 . . . . 9.55 110.727 -178.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.3 mp -125.91 136.57 60.43 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.739 0 C-N-CA 123.478 0.711 . . . . 13.9 110.949 -178.554 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 57.1 t80 -135.75 125.46 25.46 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 108.11 -1.07 . . . . 6.86 108.11 177.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.64 46.44 21.27 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.551 0.574 . . . . 11.15 112.551 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.15 2.58 62.71 Favored Glycine 0 C--N 1.356 1.666 0 N-CA-C 116.181 1.232 . . . . 13.93 116.181 178.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 27.0 mtmm -111.77 136.1 51.49 Favored 'General case' 0 N--CA 1.486 1.349 0 CA-C-N 118.451 1.126 . . . . 23.92 112.282 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -77.92 129.12 34.96 Favored 'General case' 0 N--CA 1.484 1.248 0 N-CA-C 108.033 -1.099 . . . . 23.23 108.033 177.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 32.2 mt -85.93 135.62 33.6 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.614 0.365 . . . . 9.11 111.92 -179.299 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.5 142.48 27.64 Favored 'General case' 0 N--CA 1.481 1.111 0 O-C-N 123.421 0.451 . . . . 33.44 111.739 -179.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.3 -29.5 69.91 Favored 'General case' 0 N--CA 1.485 1.282 0 N-CA-C 113.806 1.039 . . . . 28.37 113.806 -178.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.43 -1.15 89.4 Favored Glycine 0 CA--C 1.542 1.746 0 CA-C-O 119.0 -0.889 . . . . 15.0 114.925 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.4 mmt-85 -103.22 164.77 11.42 Favored 'General case' 0 N--CA 1.481 1.097 0 CA-C-N 118.121 0.96 . . . . 25.5 111.326 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 57.3 p -105.63 165.21 11.32 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-O 121.247 0.546 . . . . 11.95 110.741 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 95.6 mt -59.32 -38.04 79.27 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 114.922 -1.035 . . . . 10.17 112.384 178.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 29.7 t -66.48 -31.11 71.65 Favored 'General case' 0 C--N 1.363 1.18 0 CA-C-N 119.229 0.922 . . . . 13.59 111.721 179.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.2 m-20 -61.47 -30.3 70.51 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 112.085 0.402 . . . . 11.7 112.085 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.7 m-85 -98.48 10.13 41.59 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.274 0.472 . . . . 12.95 112.274 178.5 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 m-80 55.86 38.66 30.28 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 124.102 0.961 . . . . 25.45 112.716 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.0 mt -80.84 124.61 38.83 Favored 'Isoleucine or valine' 0 C--N 1.359 1.007 0 N-CA-C 107.868 -1.16 . . . . 14.6 107.868 177.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -114.28 172.38 7.04 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.257 1.023 . . . . 33.23 111.837 -177.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 54.0 pttt -52.65 140.73 22.55 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 113.046 0.758 . . . . 25.97 113.046 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 66.1 17.59 10.8 Favored 'General case' 0 CA--C 1.549 0.924 0 N-CA-C 114.836 1.421 . . . . 32.61 114.836 -179.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 33.0 m -76.93 153.16 34.93 Favored 'General case' 0 N--CA 1.478 0.962 0 CA-C-N 118.863 0.756 . . . . 10.56 109.19 176.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.9 m -112.27 123.33 50.03 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.284 0.634 . . . . 5.33 111.292 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.4 mp -106.27 155.28 19.65 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 107.747 -1.205 . . . . 11.66 107.747 176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.78 134.37 54.33 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 123.366 0.416 . . . . 16.3 110.667 179.427 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.3 tp -108.26 129.53 55.2 Favored 'General case' 0 C--N 1.353 0.75 0 N-CA-C 109.619 -0.512 . . . . 9.96 109.619 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.6 t -120.82 140.55 44.62 Favored 'Isoleucine or valine' 0 C--N 1.359 0.996 0 N-CA-C 107.393 -1.336 . . . . 9.76 107.393 178.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.5 mt -103.93 128.52 51.45 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.79 0.436 . . . . 19.57 111.258 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -95.63 117.68 30.91 Favored 'General case' 0 C--N 1.353 0.731 0 O-C-N 123.579 0.549 . . . . 35.08 110.444 179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 65.7 mt -95.24 149.78 20.95 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.81 0.444 . . . . 32.31 110.849 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 33.0 mmt180 -89.58 134.35 34.17 Favored 'General case' 0 C--N 1.354 0.788 0 O-C-N 123.381 0.426 . . . . 42.75 110.73 179.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 76.49 -118.92 5.39 Favored Glycine 0 C--N 1.351 1.406 0 O-C-N 123.75 0.656 . . . . 36.31 112.538 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.352 1.442 0 CA-C-O 118.458 -1.19 . . . . 36.2 112.465 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.8 ptt? . . . . . 0 N--CA 1.488 1.426 0 N-CA-C 111.428 0.158 . . . . 17.17 111.428 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -95.34 141.95 28.3 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 123.475 0.484 . . . . 21.89 110.57 179.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.2 pt -133.12 163.2 38.52 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 CA-C-N 115.485 -0.779 . . . . 10.83 109.202 178.34 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -123.73 139.05 54.37 Favored 'General case' 0 N--CA 1.48 1.058 0 CA-C-O 119.281 -0.39 . . . . 10.61 111.388 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -119.97 125.04 73.86 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.416 0 N-CA-C 108.584 -0.895 . . . . 9.13 108.584 178.405 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -103.13 135.81 44.1 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 122.877 0.471 . . . . 20.55 110.394 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.8 p -101.79 160.63 14.3 Favored 'General case' 0 C--N 1.362 1.112 0 O-C-N 123.439 0.462 . . . . 11.78 111.362 -179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.5 mt -63.81 -11.17 24.68 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 115.139 1.533 . . . . 19.31 115.139 -179.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.5 p -98.91 -11.45 21.65 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 113.197 0.814 . . . . 23.14 113.197 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.73 16.45 8.04 Favored Glycine 0 C--N 1.356 1.693 0 N-CA-C 115.782 1.073 . . . . 19.74 115.782 178.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 tttp -101.75 136.66 41.2 Favored 'General case' 0 C--N 1.368 1.401 0 N-CA-C 113.187 0.81 . . . . 21.93 113.187 -177.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 20.0 m -115.08 123.18 48.33 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.255 -1.017 . . . . 12.33 108.255 177.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.5 mt -108.03 138.66 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.802 0 N-CA-C 108.576 -0.898 . . . . 17.08 108.576 178.844 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.5 m -103.53 130.59 50.96 Favored 'General case' 0 C--N 1.355 0.844 0 N-CA-C 108.73 -0.841 . . . . 16.3 108.73 178.083 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 51.7 mt -126.96 143.73 51.21 Favored 'General case' 0 N--CA 1.478 0.942 0 O-C-N 123.453 0.471 . . . . 15.88 111.252 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -97.48 120.94 38.76 Favored 'General case' 0 C--N 1.352 0.708 0 N-CA-C 106.192 -1.781 . . . . 28.9 106.192 175.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -139.27 166.37 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.014 0.376 . . . . 12.05 112.014 -176.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -116.26 147.49 39.57 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 107.52 -1.289 . . . . 18.17 107.52 176.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -57.4 -27.5 76.13 Favored 'Trans proline' 0 C--N 1.379 2.174 0 C-N-CA 121.772 1.648 . . . . 8.16 114.975 -178.517 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 21.7 p -82.47 -0.33 45.88 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 113.091 0.774 . . . . 11.13 113.091 179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -72.72 144.11 47.77 Favored 'General case' 0 C--N 1.366 1.31 0 CA-C-N 118.916 0.78 . . . . 18.03 109.238 178.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.9 p -86.69 157.68 19.6 Favored 'General case' 0 C--N 1.35 0.592 0 O-C-N 123.838 0.711 . . . . 10.22 110.531 178.663 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.408 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.4 mm -59.64 -42.41 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 CA-C-N 116.303 -0.408 . . . . 12.3 110.322 178.116 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -55.67 -37.25 68.04 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 122.39 0.276 . . . . 36.51 110.356 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.9 t30 -68.99 -40.0 79.02 Favored 'General case' 0 N--CA 1.486 1.346 0 O-C-N 123.235 0.335 . . . . 25.66 110.477 178.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.409 HG21 HD21 ' A' ' 56' ' ' LEU . 95.5 t -62.31 -42.82 96.88 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.134 0 N-CA-C 109.722 -0.473 . . . . 8.12 109.722 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.7 mttm -61.53 -39.81 92.41 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 122.308 0.243 . . . . 15.47 110.459 177.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.44 -38.97 91.84 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 122.925 0.141 . . . . 11.45 111.154 179.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.5 mttt -65.38 -38.33 89.7 Favored 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 122.639 0.376 . . . . 24.98 110.832 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 74.4 mt -66.97 -41.5 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 119.028 -0.51 . . . . 9.46 109.656 176.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 tt0 -57.88 -43.02 85.76 Favored 'General case' 0 N--CA 1.504 2.26 0 N-CA-C 109.596 -0.52 . . . . 14.76 109.596 177.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -63.54 -41.57 98.44 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 123.699 0.624 . . . . 26.29 111.538 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.1 mttt -79.8 -42.5 24.29 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 113.547 0.943 . . . . 30.06 113.547 -178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -116.39 -5.86 11.76 Favored 'General case' 0 N--CA 1.488 1.475 0 N-CA-C 117.368 2.359 . . . . 25.19 117.368 -174.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.09 12.57 84.51 Favored Glycine 0 CA--C 1.537 1.466 0 N-CA-C 116.938 1.535 . . . . 7.41 116.938 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.8 mt -85.69 121.94 73.22 Favored Pre-proline 0 CA--C 1.55 0.962 0 CA-C-O 118.293 -0.86 . . . . 9.49 108.9 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_exo -65.2 144.85 82.67 Favored 'Trans proline' 0 C--N 1.385 2.491 0 C-N-CA 122.149 1.899 . . . . 11.42 111.481 179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -58.43 -31.76 94.82 Favored 'Trans proline' 0 C--N 1.386 2.518 0 C-N-CA 122.425 2.083 . . . . 12.0 113.878 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -69.23 -18.01 63.84 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.176 0.806 . . . . 35.55 113.176 -178.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -101.23 -0.74 35.32 Favored 'General case' 0 CA--C 1.553 1.087 0 N-CA-C 113.076 0.769 . . . . 20.52 113.076 178.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -103.32 134.22 47.09 Favored 'General case' 0 C--N 1.357 0.934 0 N-CA-C 113.619 0.97 . . . . 7.13 113.619 -177.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 80.1 mtt180 -122.78 127.56 49.3 Favored 'General case' 0 C--N 1.355 0.82 0 N-CA-C 107.332 -1.358 . . . . 36.39 107.332 176.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 94.3 mt -109.83 131.61 54.9 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.013 0.525 . . . . 9.55 110.659 -178.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -125.99 137.22 58.42 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 O-C-N 123.826 0.704 . . . . 13.9 110.985 -178.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -136.08 125.54 25.07 Favored 'General case' 0 C--N 1.352 0.679 0 N-CA-C 108.092 -1.077 . . . . 6.86 108.092 177.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.71 46.58 21.46 Favored 'General case' 0 N--CA 1.489 1.497 0 CA-C-O 121.342 0.591 . . . . 11.15 112.584 -179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.16 2.33 62.18 Favored Glycine 0 C--N 1.356 1.661 0 N-CA-C 116.204 1.242 . . . . 13.93 116.204 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 76.5 mttt -111.8 136.12 51.51 Favored 'General case' 0 N--CA 1.486 1.361 0 CA-C-N 118.379 1.09 . . . . 23.92 112.237 -178.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -78.4 129.67 35.22 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 108.181 -1.044 . . . . 23.23 108.181 177.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.3 mt -85.85 135.82 33.55 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 112.117 0.414 . . . . 9.11 112.117 -179.364 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -89.55 142.96 27.2 Favored 'General case' 0 N--CA 1.481 1.101 0 O-C-N 123.29 0.369 . . . . 33.44 111.812 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.408 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.69 -30.5 70.79 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 113.92 1.082 . . . . 28.37 113.92 -178.355 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -83.48 -1.31 90.22 Favored Glycine 0 CA--C 1.542 1.748 0 CA-C-O 118.94 -0.922 . . . . 15.0 114.996 179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.8 mmt180 -102.96 164.94 11.31 Favored 'General case' 0 N--CA 1.48 1.042 0 CA-C-N 118.231 1.015 . . . . 25.5 111.326 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.6 p -105.54 165.26 11.27 Favored 'General case' 0 N--CA 1.482 1.172 0 CA-C-O 121.161 0.505 . . . . 11.95 110.651 179.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.409 HD21 HG21 ' A' ' 26' ' ' VAL . 94.4 mt -59.33 -37.94 79.05 Favored 'General case' 0 N--CA 1.484 1.25 0 CA-C-N 114.934 -1.03 . . . . 10.17 112.475 178.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 31.0 t -66.75 -30.97 71.32 Favored 'General case' 0 C--N 1.365 1.247 0 CA-C-N 119.244 0.929 . . . . 13.59 111.682 179.074 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.4 m-20 -61.27 -30.35 70.42 Favored 'General case' 0 N--CA 1.488 1.451 0 N-CA-C 112.066 0.395 . . . . 11.7 112.066 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -98.0 9.76 42.02 Favored 'General case' 0 CA--C 1.557 1.219 0 N-CA-C 112.444 0.535 . . . . 12.95 112.444 178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 53.4 t30 56.51 38.16 29.41 Favored 'General case' 0 CA--C 1.56 1.354 0 C-N-CA 123.864 0.866 . . . . 25.45 111.874 179.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 80.7 mt -80.91 124.31 38.53 Favored 'Isoleucine or valine' 0 C--N 1.357 0.902 0 N-CA-C 107.655 -1.239 . . . . 14.6 107.655 177.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -114.22 172.21 7.14 Favored 'General case' 0 C--N 1.351 0.648 0 C-N-CA 124.27 1.028 . . . . 33.23 111.97 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -52.54 140.62 22.36 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 112.998 0.74 . . . . 25.97 112.998 -178.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.25 17.57 10.75 Favored 'General case' 0 CA--C 1.549 0.926 0 N-CA-C 114.856 1.428 . . . . 32.61 114.856 -179.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.5 m -76.68 153.04 35.51 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 118.853 0.751 . . . . 10.56 109.12 176.009 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.0 m -112.32 123.39 50.18 Favored 'General case' 0 C--N 1.354 0.798 0 C-N-CA 123.382 0.673 . . . . 5.33 111.227 -179.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.52 155.19 19.86 Favored 'General case' 0 C--N 1.353 0.719 0 N-CA-C 107.824 -1.176 . . . . 11.66 107.824 177.039 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -112.48 134.13 54.18 Favored 'General case' 0 C--N 1.35 0.627 0 C-N-CA 122.735 0.414 . . . . 16.3 110.674 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.2 tp -108.18 129.19 55.19 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 109.56 -0.533 . . . . 9.96 109.56 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 5.9 t -120.06 135.05 61.59 Favored 'Isoleucine or valine' 0 C--N 1.36 1.032 0 N-CA-C 106.961 -1.496 . . . . 9.76 106.961 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 44.0 mt -99.0 130.73 45.36 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 122.707 0.403 . . . . 19.57 111.386 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 48.9 ttp85 -96.19 99.3 11.04 Favored 'General case' 0 C--N 1.353 0.737 0 O-C-N 123.602 0.564 . . . . 35.08 110.356 179.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.25 114.36 2.2 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.254 0.347 . . . . 32.31 111.296 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 69.3 mtt85 -153.32 167.14 30.37 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 123.435 0.459 . . . . 42.75 111.614 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.19 161.96 18.84 Favored Glycine 0 C--N 1.353 1.473 0 O-C-N 123.526 0.517 . . . . 36.31 112.708 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.494 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.934 179.887 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.486 1.368 0 N-CA-C 111.465 0.172 . . . . 17.17 111.465 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -95.56 142.59 27.72 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 123.005 0.522 . . . . 21.89 110.493 179.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.9 pt -133.83 163.43 37.34 Favored 'Isoleucine or valine' 0 C--N 1.356 0.891 0 CA-C-N 115.414 -0.812 . . . . 10.83 109.359 178.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -123.62 139.01 54.43 Favored 'General case' 0 N--CA 1.478 0.95 0 CA-C-O 119.316 -0.373 . . . . 10.61 111.379 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 39.4 t -120.09 125.0 73.78 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.375 0 N-CA-C 108.678 -0.86 . . . . 9.13 108.678 178.381 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -103.48 136.54 43.03 Favored 'General case' 0 C--N 1.356 0.887 0 C-N-CA 122.698 0.399 . . . . 20.55 110.681 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 18.6 p -101.99 160.67 14.29 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 123.545 0.528 . . . . 11.78 111.524 -179.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.9 mt -63.81 -10.99 23.22 Favored 'General case' 0 N--CA 1.494 1.751 0 N-CA-C 115.132 1.53 . . . . 19.31 115.132 -179.083 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 51.7 p -98.95 -11.45 21.58 Favored 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 113.168 0.803 . . . . 23.14 113.168 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 113.5 16.26 8.3 Favored Glycine 0 C--N 1.356 1.671 0 N-CA-C 115.745 1.058 . . . . 19.74 115.745 178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -101.29 136.58 40.9 Favored 'General case' 0 C--N 1.368 1.38 0 O-C-N 124.609 0.829 . . . . 21.93 113.092 -177.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 19.4 m -114.98 123.52 49.32 Favored 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 108.155 -1.054 . . . . 12.33 108.155 178.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.43 138.81 33.39 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 N-CA-C 108.683 -0.858 . . . . 17.08 108.683 178.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.8 m -103.73 130.7 51.27 Favored 'General case' 0 C--N 1.355 0.825 0 N-CA-C 108.731 -0.84 . . . . 16.3 108.731 178.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 49.8 mt -127.06 144.0 51.14 Favored 'General case' 0 N--CA 1.48 1.049 0 O-C-N 123.538 0.524 . . . . 15.88 111.281 -179.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -97.84 121.0 39.24 Favored 'General case' 0 C--N 1.352 0.698 0 N-CA-C 106.281 -1.748 . . . . 28.9 106.281 175.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 24.4 m -139.4 166.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 N-CA-C 112.157 0.429 . . . . 12.05 112.157 -176.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -116.5 146.65 37.98 Favored Pre-proline 0 N--CA 1.474 0.731 0 N-CA-C 107.359 -1.348 . . . . 18.17 107.359 176.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -56.27 -27.54 67.15 Favored 'Trans proline' 0 C--N 1.38 2.225 0 C-N-CA 121.878 1.719 . . . . 8.16 114.96 -178.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.8 t -82.37 -0.08 44.3 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.156 0.798 . . . . 11.13 113.156 178.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -72.49 143.53 48.36 Favored 'General case' 0 C--N 1.366 1.289 0 CA-C-N 118.737 0.699 . . . . 18.03 109.132 178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 61.0 p -86.56 157.7 19.68 Favored 'General case' 0 C--N 1.349 0.571 0 O-C-N 123.841 0.713 . . . . 10.22 110.473 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ASP . 46.5 mm -59.56 -42.31 87.69 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.432 0 CA-C-N 116.316 -0.402 . . . . 12.3 110.326 178.072 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.3 tm-20 -55.82 -37.31 68.51 Favored 'General case' 0 N--CA 1.5 2.068 0 C-N-CA 122.406 0.282 . . . . 36.51 110.315 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -68.89 -40.1 79.4 Favored 'General case' 0 N--CA 1.486 1.337 0 O-C-N 123.256 0.347 . . . . 25.66 110.466 178.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.404 HG21 HD21 ' A' ' 56' ' ' LEU . 96.4 t -62.22 -42.83 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 N-CA-C 109.648 -0.501 . . . . 8.12 109.648 176.762 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.0 mttm -61.41 -39.88 92.35 Favored 'General case' 0 N--CA 1.486 1.373 0 CA-C-O 119.651 -0.214 . . . . 15.47 110.525 177.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.3 -39.09 91.84 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 122.943 0.152 . . . . 11.45 111.316 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -65.16 -38.53 90.85 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 122.651 0.38 . . . . 24.98 110.786 176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 77.3 mt -66.82 -41.53 87.92 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 CA-C-O 119.094 -0.479 . . . . 9.46 109.733 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -57.94 -43.08 86.13 Favored 'General case' 0 N--CA 1.504 2.245 0 C-N-CA 122.917 0.487 . . . . 14.76 109.692 177.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -63.6 -41.66 98.3 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 123.739 0.65 . . . . 26.29 111.514 -179.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mttt -79.69 -42.58 24.4 Favored 'General case' 0 N--CA 1.482 1.136 0 N-CA-C 113.539 0.94 . . . . 30.06 113.539 -178.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -116.29 -5.94 11.81 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 117.32 2.341 . . . . 25.19 117.32 -174.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 77.43 12.48 84.5 Favored Glycine 0 CA--C 1.537 1.419 0 N-CA-C 116.887 1.515 . . . . 7.41 116.887 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 10.7 mt -85.6 121.9 73.36 Favored Pre-proline 0 CA--C 1.55 0.975 0 CA-C-O 118.292 -0.861 . . . . 9.49 108.853 179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 19.8 Cg_exo -65.19 145.1 83.49 Favored 'Trans proline' 0 C--N 1.385 2.486 0 C-N-CA 122.124 1.883 . . . . 11.42 111.498 179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.5 -31.85 95.2 Favored 'Trans proline' 0 C--N 1.386 2.506 0 C-N-CA 122.444 2.096 . . . . 12.0 113.733 -178.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -69.29 -18.04 63.8 Favored 'General case' 0 CA--C 1.553 1.067 0 N-CA-C 113.183 0.808 . . . . 35.55 113.183 -178.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -101.23 -0.51 35.73 Favored 'General case' 0 CA--C 1.554 1.12 0 N-CA-C 113.008 0.744 . . . . 20.52 113.008 178.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 54.4 mt-30 -103.37 134.25 47.06 Favored 'General case' 0 C--N 1.358 0.971 0 N-CA-C 113.607 0.966 . . . . 7.13 113.607 -177.113 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -122.8 127.61 49.34 Favored 'General case' 0 C--N 1.356 0.86 0 N-CA-C 107.331 -1.359 . . . . 36.39 107.331 176.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 91.7 mt -110.02 131.72 54.81 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.072 0.549 . . . . 9.55 110.811 -178.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.8 mp -126.05 137.45 57.68 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 O-C-N 123.8 0.687 . . . . 13.9 111.035 -178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 59.4 t80 -136.15 125.54 24.97 Favored 'General case' 0 C--N 1.351 0.67 0 N-CA-C 108.082 -1.081 . . . . 6.86 108.082 177.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.76 46.63 21.6 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 112.59 0.589 . . . . 11.15 112.59 -179.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.92 2.45 61.58 Favored Glycine 0 C--N 1.356 1.674 0 N-CA-C 116.229 1.252 . . . . 13.93 116.229 178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -111.78 136.11 51.5 Favored 'General case' 0 N--CA 1.485 1.3 0 CA-C-N 118.412 1.106 . . . . 23.92 112.201 -178.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 70.8 mt-30 -78.44 129.65 35.16 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 108.088 -1.079 . . . . 23.23 108.088 177.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.5 mt -85.88 135.76 33.57 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 112.041 0.386 . . . . 9.11 112.041 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -89.47 142.75 27.39 Favored 'General case' 0 N--CA 1.481 1.122 0 O-C-N 123.273 0.358 . . . . 33.44 111.783 -179.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.405 ' HA ' ' HB ' ' A' ' 23' ' ' ILE . 1.1 m-20 -61.62 -29.86 70.32 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 114.04 1.126 . . . . 28.37 114.04 -178.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.06 -1.13 89.73 Favored Glycine 0 CA--C 1.541 1.678 0 CA-C-O 118.937 -0.924 . . . . 15.0 114.994 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 20.9 mmt180 -103.17 165.07 11.24 Favored 'General case' 0 N--CA 1.482 1.13 0 CA-C-N 118.289 1.045 . . . . 25.5 111.27 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.4 p -105.68 165.48 11.13 Favored 'General case' 0 N--CA 1.481 1.098 0 CA-C-O 121.124 0.488 . . . . 11.95 110.639 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD21 HG21 ' A' ' 26' ' ' VAL . 93.9 mt -59.3 -37.49 77.88 Favored 'General case' 0 N--CA 1.483 1.225 0 CA-C-N 114.9 -1.045 . . . . 10.17 112.542 178.224 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 98.4 p -67.39 -30.42 70.19 Favored 'General case' 0 C--N 1.364 1.215 0 CA-C-N 119.34 0.973 . . . . 13.59 112.084 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 70.9 m-20 -61.45 -30.32 70.51 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 112.082 0.401 . . . . 11.7 112.082 178.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -98.31 10.0 41.73 Favored 'General case' 0 CA--C 1.557 1.238 0 N-CA-C 112.319 0.489 . . . . 12.95 112.319 178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 56.08 38.51 29.98 Favored 'General case' 0 C--N 1.367 1.327 0 C-N-CA 124.112 0.965 . . . . 25.45 112.614 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.71 124.48 38.58 Favored 'Isoleucine or valine' 0 C--N 1.358 0.967 0 N-CA-C 107.801 -1.185 . . . . 14.6 107.801 177.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.9 mm100 -114.13 172.34 7.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.151 0.98 . . . . 33.23 111.906 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 ptmt -52.7 140.56 23.25 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 112.837 0.68 . . . . 25.97 112.837 -178.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 66.24 17.74 10.79 Favored 'General case' 0 CA--C 1.549 0.94 0 N-CA-C 114.785 1.402 . . . . 32.61 114.785 -179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -76.72 153.02 35.47 Favored 'General case' 0 N--CA 1.478 0.975 0 CA-C-N 118.87 0.759 . . . . 10.56 109.094 175.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.7 m -112.26 123.34 50.06 Favored 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.464 0.706 . . . . 5.33 111.312 -179.11 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.5 mp -106.5 155.19 19.84 Favored 'General case' 0 C--N 1.355 0.819 0 N-CA-C 107.909 -1.145 . . . . 11.66 107.909 176.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -112.54 134.22 54.19 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 122.742 0.417 . . . . 16.3 110.67 179.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 40.8 tp -108.13 129.22 55.18 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 109.628 -0.508 . . . . 9.96 109.628 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.3 t -120.0 138.54 50.24 Favored 'Isoleucine or valine' 0 C--N 1.359 0.992 0 N-CA-C 107.095 -1.446 . . . . 9.76 107.095 178.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.1 mt -102.15 131.96 48.34 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.726 0.41 . . . . 19.57 111.493 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 12.1 ttm180 -96.7 111.28 23.5 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 123.141 0.576 . . . . 35.08 110.363 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 3.5 tt -152.98 119.75 5.7 Favored 'General case' 0 N--CA 1.475 0.806 0 O-C-N 123.44 0.463 . . . . 32.31 111.32 -179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 90.2 mtm-85 -154.18 169.07 24.48 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 123.494 0.496 . . . . 42.75 111.54 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.8 -152.31 36.83 Favored Glycine 0 C--N 1.352 1.432 0 O-C-N 123.636 0.585 . . . . 36.31 112.562 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.477 0 CA-C-O 118.437 -1.201 . . . . 36.2 112.847 -179.922 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptt? . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 111.323 0.12 . . . . 17.17 111.323 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -95.58 141.59 28.91 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 123.543 0.527 . . . . 21.89 110.546 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 25.3 pt -133.22 163.41 37.86 Favored 'Isoleucine or valine' 0 C--O 1.245 0.848 0 CA-C-N 115.461 -0.79 . . . . 10.83 109.2 178.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -123.43 138.87 54.5 Favored 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 119.284 -0.389 . . . . 10.61 111.381 179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 42.3 t -119.15 125.31 74.35 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.279 0 N-CA-C 108.101 -1.074 . . . . 9.13 108.101 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.4 tptp -102.56 131.77 49.07 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 123.28 0.632 . . . . 20.55 109.388 -179.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.7 p -100.43 161.48 13.57 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.36 0.412 . . . . 11.78 110.659 -179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.2 mt -48.8 -53.05 20.75 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 123.874 0.734 . . . . 19.31 112.143 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 28.5 p -62.7 -9.06 7.87 Favored 'General case' 0 N--CA 1.485 1.278 0 N-CA-C 115.118 1.525 . . . . 23.14 115.118 -178.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 102.55 6.1 47.6 Favored Glycine 0 C--N 1.366 2.196 0 N-CA-C 116.074 1.19 . . . . 19.74 116.074 178.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 48.8 tttp -81.62 142.98 32.27 Favored 'General case' 0 C--N 1.366 1.298 0 C-N-CA 120.472 -0.491 . . . . 21.93 110.446 178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 15.2 m -116.83 127.09 53.97 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 109.806 -0.442 . . . . 12.33 109.806 179.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.9 mt -110.5 139.08 35.66 Favored 'Isoleucine or valine' 0 C--N 1.358 0.944 0 N-CA-C 109.026 -0.731 . . . . 17.08 109.026 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 5.3 m -104.2 131.08 51.88 Favored 'General case' 0 C--N 1.354 0.799 0 N-CA-C 109.11 -0.7 . . . . 16.3 109.11 178.088 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -127.33 144.79 50.99 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.414 0.447 . . . . 15.88 111.519 -179.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -98.28 121.04 39.72 Favored 'General case' 0 C--N 1.355 0.811 0 N-CA-C 106.593 -1.632 . . . . 28.9 106.593 175.679 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.3 m -139.26 166.37 21.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 N-CA-C 112.35 0.5 . . . . 12.05 112.35 -176.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.1 mm-40 -115.61 148.56 41.32 Favored Pre-proline 0 N--CA 1.476 0.848 0 N-CA-C 107.798 -1.186 . . . . 18.17 107.798 175.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo -58.17 -28.04 82.46 Favored 'Trans proline' 0 C--N 1.381 2.279 0 C-N-CA 121.768 1.645 . . . . 8.16 114.846 -178.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 3.7 t -82.47 -0.19 45.23 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 112.994 0.739 . . . . 11.13 112.994 178.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -72.4 143.43 48.54 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 108.956 -0.757 . . . . 18.03 108.956 178.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 58.9 p -86.36 157.84 19.78 Favored 'General case' 0 C--N 1.349 0.544 0 O-C-N 123.871 0.732 . . . . 10.22 110.342 178.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 46.3 mm -59.74 -41.89 86.93 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 CA-C-N 116.206 -0.452 . . . . 12.3 110.222 178.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -56.24 -37.6 69.96 Favored 'General case' 0 N--CA 1.501 2.077 0 C-N-CA 122.451 0.3 . . . . 36.51 110.396 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -69.3 -40.27 77.79 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 123.213 0.321 . . . . 25.66 110.416 178.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 95.4 t -61.9 -41.94 92.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 N-CA-C 109.579 -0.526 . . . . 8.12 109.579 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.2 mttm -61.68 -39.95 93.25 Favored 'General case' 0 N--CA 1.486 1.354 0 CA-C-O 119.52 -0.276 . . . . 15.47 110.556 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.51 -39.14 92.55 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 122.999 0.187 . . . . 11.45 111.431 179.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 46.7 mttm -65.35 -38.39 89.96 Favored 'General case' 0 N--CA 1.488 1.472 0 C-N-CA 122.63 0.372 . . . . 24.98 110.74 176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 67.6 mt -67.2 -41.32 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.264 0 CA-C-O 118.974 -0.536 . . . . 9.46 109.584 176.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 53.0 tt0 -57.83 -42.77 85.02 Favored 'General case' 0 N--CA 1.505 2.306 0 C-N-CA 123.0 0.52 . . . . 14.76 109.67 177.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 52.9 m-20 -63.12 -41.54 99.36 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.777 0.673 . . . . 26.29 111.426 -179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -79.94 -42.42 24.07 Favored 'General case' 0 N--CA 1.481 1.123 0 N-CA-C 113.774 1.028 . . . . 30.06 113.774 -178.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -117.31 -6.27 11.27 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 117.431 2.382 . . . . 25.19 117.431 -173.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 76.78 13.02 83.99 Favored Glycine 0 CA--C 1.538 1.521 0 N-CA-C 117.244 1.658 . . . . 7.41 117.244 177.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.2 mt -85.75 123.32 72.53 Favored Pre-proline 0 N--CA 1.48 1.066 0 CA-C-O 118.36 -0.828 . . . . 9.49 109.219 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 17.2 Cg_exo -66.71 143.48 67.98 Favored 'Trans proline' 0 C--N 1.386 2.53 0 C-N-CA 122.147 1.898 . . . . 11.42 111.458 179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -58.16 -30.79 91.65 Favored 'Trans proline' 0 C--N 1.387 2.553 0 C-N-CA 122.536 2.158 . . . . 12.0 113.974 -178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -69.73 -19.07 63.56 Favored 'General case' 0 N--CA 1.483 1.187 0 N-CA-C 112.868 0.692 . . . . 35.55 112.868 -178.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 58.7 mt-30 -99.95 0.73 41.72 Favored 'General case' 0 CA--C 1.552 1.036 0 N-CA-C 112.64 0.608 . . . . 20.52 112.64 178.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -105.07 134.78 47.6 Favored 'General case' 0 C--N 1.358 0.952 0 N-CA-C 114.177 1.177 . . . . 7.13 114.177 -176.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -123.19 127.75 49.08 Favored 'General case' 0 C--N 1.356 0.869 0 N-CA-C 107.393 -1.336 . . . . 36.39 107.393 175.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 96.9 mt -109.86 131.53 54.97 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.071 0.548 . . . . 9.55 110.869 -178.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 2.5 mp -125.32 136.69 60.06 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.76 0 C-N-CA 123.48 0.712 . . . . 13.9 110.897 -178.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -136.11 125.11 24.28 Favored 'General case' 0 C--N 1.351 0.673 0 N-CA-C 107.878 -1.156 . . . . 6.86 107.878 177.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . 48.8 45.79 21.97 Favored 'General case' 0 N--CA 1.488 1.437 0 CA-C-O 121.355 0.598 . . . . 11.15 112.469 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.51 2.47 63.83 Favored Glycine 0 C--N 1.357 1.699 0 N-CA-C 116.258 1.263 . . . . 13.93 116.258 178.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 77.9 mttt -111.9 136.07 51.69 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 118.362 1.081 . . . . 23.92 112.267 -178.713 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -77.67 129.2 35.25 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 108.149 -1.056 . . . . 23.23 108.149 177.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 31.3 mt -86.23 135.51 33.53 Favored 'General case' 0 N--CA 1.48 1.061 0 N-CA-C 112.023 0.379 . . . . 9.11 112.023 -179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -89.1 142.75 27.38 Favored 'General case' 0 N--CA 1.48 1.05 0 O-C-N 123.453 0.471 . . . . 33.44 111.998 -179.556 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.77 -29.24 70.01 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 113.936 1.088 . . . . 28.37 113.936 -178.274 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -84.67 -0.65 89.23 Favored Glycine 0 CA--C 1.542 1.756 0 CA-C-O 118.935 -0.925 . . . . 15.0 114.895 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -103.18 165.08 11.23 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 118.328 1.064 . . . . 25.5 111.31 178.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.9 p -105.69 165.42 11.18 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-O 121.201 0.524 . . . . 11.95 110.668 179.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.9 mt -59.5 -36.91 76.96 Favored 'General case' 0 N--CA 1.483 1.205 0 CA-C-N 114.972 -1.013 . . . . 10.17 112.612 178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 30.0 t -67.41 -30.88 70.75 Favored 'General case' 0 C--N 1.364 1.203 0 CA-C-N 119.424 1.011 . . . . 13.59 111.677 179.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 71.1 m-20 -61.44 -30.2 70.43 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 112.13 0.418 . . . . 11.7 112.13 179.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -98.53 9.98 41.97 Favored 'General case' 0 CA--C 1.558 1.258 0 N-CA-C 112.349 0.5 . . . . 12.95 112.349 178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 49.2 m-80 56.03 38.62 30.13 Favored 'General case' 0 C--N 1.365 1.254 0 C-N-CA 124.195 0.998 . . . . 25.45 112.758 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 78.7 mt -80.65 124.31 38.35 Favored 'Isoleucine or valine' 0 C--N 1.356 0.886 0 N-CA-C 107.851 -1.166 . . . . 14.6 107.851 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -114.22 172.54 6.94 Favored 'General case' 0 C--N 1.351 0.672 0 C-N-CA 124.119 0.967 . . . . 33.23 111.925 -177.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.9 ptmt -52.65 140.51 23.2 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 112.925 0.713 . . . . 25.97 112.925 -178.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 66.37 17.44 10.68 Favored 'General case' 0 CA--C 1.549 0.932 0 N-CA-C 114.904 1.446 . . . . 32.61 114.904 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.3 m -77.08 153.5 34.28 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 118.964 0.802 . . . . 10.56 109.177 176.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.3 m -112.55 123.15 49.65 Favored 'General case' 0 C--N 1.354 0.801 0 C-N-CA 123.49 0.716 . . . . 5.33 111.238 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.7 mp -105.77 155.54 19.18 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 107.728 -1.212 . . . . 11.66 107.728 176.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -112.71 134.08 54.41 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 122.825 0.45 . . . . 16.3 110.533 179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 52.3 tp -108.38 129.53 55.24 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 109.807 -0.442 . . . . 9.96 109.807 179.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 6.0 t -119.97 134.07 64.69 Favored 'Isoleucine or valine' 0 C--N 1.359 1.006 0 N-CA-C 106.775 -1.565 . . . . 9.76 106.775 178.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 45.0 mt -97.84 136.37 38.25 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 122.706 0.402 . . . . 19.57 111.479 -179.038 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 59.6 mtt180 -87.67 156.96 19.22 Favored 'General case' 0 N--CA 1.474 0.74 0 O-C-N 123.685 0.616 . . . . 35.08 110.685 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 88.2 mt -147.88 171.44 15.75 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.639 0.375 . . . . 32.31 111.207 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 87.8 mtt180 -150.22 150.6 31.79 Favored 'General case' 0 N--CA 1.473 0.716 0 CA-C-N 116.445 -0.343 . . . . 42.75 111.313 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 77.25 -106.63 2.25 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.658 0.599 . . . . 36.31 112.503 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.353 1.504 0 CA-C-O 118.334 -1.259 . . . . 36.2 112.909 -179.948 . . . . . . . . 0 0 . 1 stop_ save_